#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2weu s ILE 2 N 0.00 3.35 -0.01 2.02 -4.36 -1.26 -4.53 121.20 116.41 2weu s ILE 2 Ca 0.00 0.44 0.01 0.00 -0.26 0.00 0.00 60.65 60.84 2weu s ILE 2 Cb 0.00 -3.32 -0.01 0.00 1.25 0.00 0.00 42.46 40.38 2weu s ILE 2 CO 0.00 -0.57 -0.00 -1.14 0.24 0.00 0.00 174.94 173.47 2weu n ARG 3 N -3.18 2.73 -4.22 0.37 0.63 -1.26 -4.99 116.66 106.74 2weu n ARG 3 Ca 0.07 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.84 2weu n ARG 3 Cb 0.57 -1.03 -0.14 0.00 0.45 0.00 0.00 32.46 32.30 2weu n ARG 3 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2weu s SER 4 N -3.43 0.79 -0.04 6.15 1.04 -1.26 -0.52 113.70 116.42 2weu s SER 4 Ca -0.01 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.31 2weu s SER 4 Cb 0.00 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2weu s SER 4 CO 0.04 0.05 -0.20 -0.69 0.98 0.00 0.00 173.24 173.43 2weu s VAL 5 N -0.27 1.65 -0.21 5.02 1.01 0.44 -1.95 120.40 126.10 2weu s VAL 5 Ca 0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2weu s VAL 5 Cb -0.03 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2weu s VAL 5 CO -0.00 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.76 2weu s VAL 6 N -0.12 2.64 -0.22 2.92 1.01 -0.18 -1.35 120.40 125.09 2weu s VAL 6 Ca -0.02 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 2weu s VAL 6 Cb -0.11 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2weu s VAL 6 CO 0.02 0.43 0.11 -0.63 0.00 0.00 0.00 175.10 175.03 2weu s ILE 7 N 1.35 5.01 -0.35 2.22 1.01 0.11 -0.44 121.20 130.12 2weu s ILE 7 Ca 0.04 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 2weu s ILE 7 Cb -0.14 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.05 2weu s ILE 7 CO -0.08 0.38 0.13 -0.69 0.00 0.00 0.00 174.94 174.68 2weu s VAL 8 N 0.94 3.94 0.00 2.92 1.01 0.75 -0.54 120.40 129.42 2weu s VAL 8 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2weu s VAL 8 Cb -0.13 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2weu s VAL 8 CO 0.03 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.54 2weu n GLY 9 N 4.85 2.95 0.00 4.51 0.00 0.05 -0.02 105.19 117.53 2weu n GLY 9 Ca -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2weu n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weu n GLY 10 N 0.84 0.81 7.00 -0.02 0.00 -1.26 -4.17 105.19 108.39 2weu n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2weu n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weu n GLY 11 N 5.00 0.40 0.08 -0.02 0.00 -1.26 -1.02 105.19 108.36 2weu n GLY 11 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 2weu n GLY 11 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2weu h THR 12 N 0.00 1.01 -0.33 2.61 2.02 -1.93 -1.88 112.91 114.41 2weu h THR 12 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2weu h THR 12 Cb 0.00 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 2weu h THR 12 CO 0.00 0.02 0.21 0.00 0.37 0.00 0.00 175.52 176.12 2weu h ALA 13 N 1.05 0.42 -0.18 6.16 0.00 -1.91 -0.25 119.26 124.55 2weu h ALA 13 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2weu h ALA 13 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2weu h ALA 13 CO -0.03 -0.10 -0.05 0.78 0.00 0.00 0.00 179.25 179.85 2weu h GLY 14 N 0.43 0.39 1.89 0.00 0.00 -0.96 -2.23 103.07 102.59 2weu h GLY 14 Ca 0.12 -0.32 -0.21 0.00 0.00 0.00 0.00 47.33 46.91 2weu h GLY 14 CO -0.02 0.29 -1.06 1.49 0.00 0.00 0.00 176.54 177.24 2weu h TRP 15 N 0.06 0.00 -0.83 5.60 4.06 -1.34 -0.67 115.95 122.84 2weu h TRP 15 Ca 0.05 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.99 2weu h TRP 15 Cb 0.50 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.62 2weu h TRP 15 CO 0.05 0.98 0.51 0.52 -3.56 0.00 0.00 178.44 176.94 2weu h MET 16 N 0.00 1.12 0.02 0.49 2.86 -1.07 -1.38 114.93 116.96 2weu h MET 16 Ca -0.04 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2weu h MET 16 Cb 1.78 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.20 2weu h MET 16 CO 0.12 0.78 -0.01 1.15 1.06 0.00 0.00 176.91 180.01 2weu h THR 17 N 1.13 1.15 -0.49 2.22 2.02 -1.17 -1.87 112.91 115.91 2weu h THR 17 Ca 0.30 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2weu h THR 17 Cb -0.06 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2weu h THR 17 CO -0.06 0.14 0.19 0.00 0.37 0.00 0.00 175.52 176.16 2weu h ALA 18 N 0.71 0.63 -0.51 6.16 0.00 -1.08 -1.18 119.26 124.00 2weu h ALA 18 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2weu h ALA 18 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2weu h ALA 18 CO 0.01 0.25 0.04 0.66 0.00 0.00 0.00 179.25 180.20 2weu h SER 19 N 0.65 0.84 -0.48 0.00 4.64 -1.27 -2.57 113.55 115.36 2weu h SER 19 Ca 0.16 -0.29 -0.12 0.00 -0.47 0.00 0.00 61.79 61.07 2weu h SER 19 Cb 0.20 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2weu h SER 19 CO -0.01 0.92 -0.18 0.22 -0.87 0.00 0.00 176.83 176.91 2weu h TYR 20 N 0.74 1.11 -0.72 4.77 3.20 -1.02 -0.68 116.97 124.35 2weu h TYR 20 Ca 0.15 -0.26 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 2weu h TYR 20 Cb 0.47 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 2weu h TYR 20 CO 0.03 1.07 0.44 -0.07 -1.64 0.00 0.00 178.16 178.00 2weu h LEU 21 N 0.82 0.87 -0.44 2.82 3.38 -1.15 0.29 115.31 121.90 2weu h LEU 21 Ca 0.11 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2weu h LEU 21 Cb 0.75 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2weu h LEU 21 CO 0.06 0.68 -0.60 0.11 0.09 0.00 0.00 178.44 178.77 2weu h LYS 22 N 0.99 0.59 -1.00 1.13 1.79 -1.28 -0.13 116.57 118.65 2weu h LYS 22 Ca 0.26 -0.40 0.01 0.00 -2.18 0.00 0.00 60.65 58.34 2weu h LYS 22 Cb -0.04 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 2weu h LYS 22 CO -0.05 1.02 0.67 0.00 -1.08 0.00 0.00 179.45 180.01 2weu h ALA 23 N 0.89 1.28 -0.03 3.86 0.00 -0.71 0.27 119.26 124.81 2weu h ALA 23 Ca -0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2weu h ALA 23 Cb 1.17 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2weu h ALA 23 CO 0.12 0.66 -0.41 0.00 0.00 0.00 0.00 179.25 179.61 2weu h ALA 24 N 1.37 0.10 -0.00 0.00 0.00 -0.76 -3.40 119.26 116.57 2weu h ALA 24 Ca 0.37 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2weu h ALA 24 Cb -0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2weu h ALA 24 CO -0.08 0.23 -0.10 1.19 0.00 0.00 0.00 179.25 180.49 2weu n PHE 25 N -4.36 0.00 0.00 0.00 3.72 -0.08 -5.07 117.46 111.67 2weu n PHE 25 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2weu n PHE 25 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 2weu n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2weu n ASP 26 N -0.74 0.00 -0.32 4.37 2.03 0.95 -0.84 116.55 122.01 2weu n ASP 26 Ca 0.01 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.34 2weu n ASP 26 Cb 0.06 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.52 2weu n ASP 26 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2weu n ASP 27 N 2.48 0.88 -1.25 1.67 5.68 -1.26 -3.38 116.55 121.38 2weu n ASP 27 Ca 0.00 -2.02 0.08 0.00 -0.50 0.00 0.00 54.79 52.35 2weu n ASP 27 Cb 0.00 -0.14 0.28 0.00 -1.14 0.00 0.00 41.12 40.12 2weu n ASP 27 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2weu n ARG 28 N -0.06 2.91 -3.81 0.11 1.74 -0.02 -4.85 116.66 112.68 2weu n ARG 28 Ca 0.05 -2.22 -0.12 0.00 -0.77 0.00 0.00 57.85 54.78 2weu n ARG 28 Cb 0.15 -1.66 -0.12 0.00 -1.02 0.00 0.00 32.46 29.81 2weu n ARG 28 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2weu s ILE 29 N -1.60 0.01 -0.17 0.55 1.10 -1.22 -4.94 121.20 114.94 2weu s ILE 29 Ca 0.40 -0.07 -0.09 0.00 -0.51 0.00 0.00 60.65 60.39 2weu s ILE 29 Cb 0.24 -0.32 -0.05 0.00 0.15 0.00 0.00 42.46 42.49 2weu s ILE 29 CO 0.22 -0.04 0.13 -1.81 -2.11 0.00 0.00 174.94 171.33 2weu s ASP 30 N -0.05 6.21 -0.05 4.50 1.01 0.32 -4.91 116.67 123.70 2weu s ASP 30 Ca -0.02 0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.56 2weu s ASP 30 Cb -0.02 -2.06 0.02 0.00 1.01 0.00 0.00 42.92 41.87 2weu s ASP 30 CO 0.00 0.27 -0.07 -0.69 0.21 0.00 0.00 175.17 174.90 2weu s VAL 31 N -0.17 0.72 -0.07 -1.27 1.01 -1.26 -0.42 120.40 118.94 2weu s VAL 31 Ca 0.10 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2weu s VAL 31 Cb -0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 2weu s VAL 31 CO 0.00 0.27 -0.24 -0.89 0.00 0.00 0.00 175.10 174.25 2weu s THR 32 N 0.93 2.15 -0.20 3.92 2.01 -0.46 -0.61 115.64 123.37 2weu s THR 32 Ca -0.11 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 60.86 2weu s THR 32 Cb -0.15 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.58 2weu s THR 32 CO 0.00 0.57 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.16 2weu s LEU 33 N -0.03 2.55 -0.27 4.42 0.20 0.13 0.04 118.68 125.72 2weu s LEU 33 Ca -0.07 -0.58 -0.09 0.00 0.69 0.00 0.00 54.13 54.08 2weu s LEU 33 Cb -0.15 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 43.98 2weu s LEU 33 CO 0.05 -0.02 0.11 -0.69 -0.29 0.00 0.00 176.35 175.51 2weu s VAL 34 N 1.36 4.64 0.03 1.68 1.01 0.30 -0.81 120.40 128.62 2weu s VAL 34 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2weu s VAL 34 Cb -0.14 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2weu s VAL 34 CO -0.08 0.28 -0.06 -1.83 0.00 0.00 0.00 175.10 173.41 2weu s GLU 35 N 1.66 0.44 0.54 2.72 -1.05 0.22 -0.77 118.70 122.46 2weu s GLU 35 Ca 0.06 -0.72 -0.16 0.00 -0.15 0.00 0.00 54.97 54.00 2weu s GLU 35 Cb -0.16 -0.10 -0.07 0.00 -0.44 0.00 0.00 34.13 33.37 2weu s GLU 35 CO 0.06 0.00 1.01 0.45 0.95 0.00 0.00 175.26 177.73 2weu s SER 36 N -1.59 6.36 -0.41 0.83 0.15 -1.17 -0.81 113.70 117.05 2weu s SER 36 Ca -0.12 1.65 -0.29 0.00 0.70 0.00 0.00 55.95 57.90 2weu s SER 36 Cb -0.09 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.72 2weu s SER 36 CO -0.01 -0.77 1.15 -0.83 1.20 0.00 0.00 173.24 173.99 2weu s GLY 37 N -2.95 1.36 0.00 9.45 0.00 -1.26 -4.85 107.32 109.07 2weu s GLY 37 Ca 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2weu s GLY 37 CO 0.33 2.41 0.00 1.55 0.00 0.00 0.00 173.10 177.39 2weu n VAL 44 N 6.53 0.00 -2.80 1.40 3.14 -1.26 -5.18 118.33 120.16 2weu n VAL 44 Ca 0.12 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.16 2weu n VAL 44 Cb 0.48 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.19 2weu n VAL 44 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2weu s GLY 45 N 0.00 2.52 0.03 7.55 0.00 -1.26 -3.27 107.32 112.88 2weu s GLY 45 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 44.72 45.14 2weu s GLY 45 CO 0.00 0.77 0.01 1.85 0.00 0.00 0.00 173.10 175.73 2weu s GLU 46 N -2.84 0.47 0.38 2.90 2.12 0.01 -4.95 118.70 116.79 2weu s GLU 46 Ca 0.59 -0.82 0.08 0.00 0.36 0.00 0.00 54.97 55.18 2weu s GLU 46 Cb -0.12 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 2weu s GLU 46 CO 0.16 -0.09 0.27 0.00 -0.54 0.00 0.00 175.26 175.06 2weu s ALA 47 N -2.46 3.80 0.28 6.30 0.00 -1.26 -1.39 121.76 127.03 2weu s ALA 47 Ca -0.06 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.07 2weu s ALA 47 Cb -0.02 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2weu s ALA 47 CO -0.04 -0.10 0.13 0.95 0.00 0.00 0.00 175.76 176.71 2weu s THR 48 N -2.44 0.39 0.54 0.00 -4.23 -0.66 -4.73 115.64 104.51 2weu s THR 48 Ca 0.43 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.84 2weu s THR 48 Cb -0.03 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.21 2weu s THR 48 CO 0.25 0.00 0.92 -0.36 -0.54 0.00 0.00 174.62 174.89 2weu s PHE 49 N -3.69 3.57 0.49 3.99 0.40 -1.26 -4.49 117.98 116.98 2weu s PHE 49 Ca 0.36 1.14 0.18 0.00 -0.60 0.00 0.00 56.93 58.02 2weu s PHE 49 Cb 0.06 -2.57 1.21 0.00 0.51 0.00 0.00 43.02 42.23 2weu s PHE 49 CO 0.16 -0.45 2.02 0.66 0.70 0.00 0.00 175.22 178.31 2weu h SER 50 N 0.21 0.16 0.42 1.36 4.64 -1.89 -2.44 113.55 116.01 2weu h SER 50 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2weu h SER 50 Cb 1.19 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2weu h SER 50 CO 0.62 0.10 0.00 0.35 -0.87 0.00 0.00 176.83 177.03 2weu n THR 51 N -4.45 0.51 0.32 2.95 -2.24 -1.26 -2.51 114.28 107.60 2weu n THR 51 Ca 0.07 0.13 0.22 0.00 -2.27 0.00 0.00 64.05 62.19 2weu n THR 51 Cb 0.40 -0.82 1.15 0.00 -2.10 0.00 0.00 70.33 68.96 2weu n THR 51 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2weu h VAL 52 N 0.00 0.00 -0.29 2.28 3.04 -1.83 -2.43 116.25 117.01 2weu h VAL 52 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 2weu h VAL 52 Cb 0.21 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 2weu h VAL 52 CO 0.00 0.00 0.19 0.08 -1.01 0.00 0.00 177.57 176.83 2weu h ARG 53 N 0.00 0.33 -0.74 4.17 0.11 -1.74 -1.42 114.38 115.10 2weu h ARG 53 Ca 0.00 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2weu h ARG 53 Cb 0.03 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.00 2weu h ARG 53 CO 0.00 0.22 0.42 0.45 0.10 0.00 0.00 179.97 181.16 2weu h HIS 54 N 0.34 0.98 0.07 4.08 3.86 -1.71 0.11 115.15 122.89 2weu h HIS 54 Ca 0.11 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2weu h HIS 54 Cb 0.03 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.18 2weu h HIS 54 CO -0.00 0.67 -0.03 0.35 0.86 0.00 0.00 177.93 179.78 2weu h PHE 55 N 1.02 -0.09 -0.89 2.45 3.57 -1.45 -1.35 116.94 120.21 2weu h PHE 55 Ca 0.26 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2weu h PHE 55 Cb -0.01 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2weu h PHE 55 CO 0.01 0.35 0.48 0.74 -2.23 0.00 0.00 178.31 177.65 2weu h PHE 56 N -0.56 1.24 -0.10 0.41 0.04 -1.28 -1.83 116.94 114.87 2weu h PHE 56 Ca -0.01 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 2weu h PHE 56 Cb 0.48 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 2weu h PHE 56 CO 0.07 0.87 -0.42 -0.44 -0.60 0.00 0.00 178.31 177.80 2weu h ASP 57 N 1.26 0.23 -0.71 2.17 3.32 -0.80 -1.51 116.42 120.38 2weu h ASP 57 Ca 0.31 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 2weu h ASP 57 Cb 0.05 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2weu h ASP 57 CO -0.05 0.63 0.18 0.22 -1.72 0.00 0.00 179.24 178.50 2weu h TYR 58 N 0.19 1.19 0.00 4.55 3.20 -0.46 -1.80 116.97 123.84 2weu h TYR 58 Ca 0.02 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 2weu h TYR 58 Cb 0.82 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 2weu h TYR 58 CO 0.01 0.96 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.33 2weu h LEU 59 N 1.08 0.00 0.00 2.82 4.07 -1.10 -3.44 115.31 118.73 2weu h LEU 59 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2weu h LEU 59 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2weu h LEU 59 CO 0.00 0.10 0.00 0.61 -1.08 0.00 0.00 178.44 178.07 2weu n GLY 60 N 0.24 1.00 3.82 0.83 0.00 -0.68 -5.04 105.19 105.36 2weu n GLY 60 Ca 0.01 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2weu n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2weu s LEU 61 N 0.00 4.10 -0.03 0.99 1.43 -0.64 -5.02 118.68 119.51 2weu s LEU 61 Ca 0.00 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2weu s LEU 61 Cb 0.00 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 2weu s LEU 61 CO 0.00 0.34 -0.04 -0.62 0.23 0.00 0.00 176.35 176.26 2weu s ASP 62 N -1.35 4.86 0.54 2.29 2.15 -1.26 -4.42 116.67 119.47 2weu s ASP 62 Ca 0.19 -0.03 0.20 0.00 0.43 0.00 0.00 52.55 53.35 2weu s ASP 62 Cb -0.12 -1.23 1.43 0.00 -0.30 0.00 0.00 42.92 42.70 2weu s ASP 62 CO 0.09 0.32 2.17 1.05 -0.17 0.00 0.00 175.17 178.63 2weu h GLU 63 N 4.78 0.00 0.00 4.34 4.11 -1.99 0.80 114.58 126.62 2weu h GLU 63 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 2weu h GLU 63 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2weu h GLU 63 CO 0.54 0.02 -0.04 0.00 0.07 0.00 0.00 179.01 179.60 2weu h ARG 64 N 0.00 0.00 -0.02 1.06 3.08 -1.96 -0.77 114.38 115.78 2weu h ARG 64 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2weu h ARG 64 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2weu h ARG 64 CO 0.00 0.04 -0.13 0.93 -1.07 0.00 0.00 179.97 179.74 2weu h GLU 65 N 0.00 0.12 0.00 0.04 5.08 -1.24 -3.43 114.58 115.15 2weu h GLU 65 Ca -0.00 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 2weu h GLU 65 Cb 0.28 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2weu h GLU 65 CO 0.01 0.79 -1.65 -2.67 -1.00 0.00 0.00 179.01 174.49 2weu n TRP 66 N -4.63 0.00 -0.07 4.33 4.27 -1.10 -4.63 117.44 115.62 2weu n TRP 66 Ca -0.09 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.44 2weu n TRP 66 Cb 0.41 -0.46 -0.01 0.00 -1.36 0.00 0.00 31.31 29.89 2weu n TRP 66 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 2weu h LEU 67 N 0.00 0.11 -0.77 5.67 5.85 -1.41 -1.73 115.31 123.03 2weu h LEU 67 Ca -0.26 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2weu h LEU 67 Cb 1.58 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.58 2weu h LEU 67 CO 0.01 0.10 0.51 -0.65 -0.34 0.00 0.00 178.44 178.07 2weu h PRO 68 N 0.22 1.00 -0.28 5.25 0.11 -1.85 0.56 132.00 137.01 2weu h PRO 68 Ca 0.11 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.19 2weu h PRO 68 Cb 0.08 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 2weu h PRO 68 CO -0.11 0.66 0.19 -0.09 -0.21 0.00 0.00 178.00 178.43 2weu h ARG 69 N 1.03 0.28 -0.79 1.05 2.43 -1.72 -2.65 114.38 114.01 2weu h ARG 69 Ca 0.29 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.23 2weu h ARG 69 Cb -0.10 -0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.26 2weu h ARG 69 CO -0.07 0.19 0.27 0.00 -1.51 0.00 0.00 179.97 178.85 2weu n ALA 71 N -0.14 -0.75 -1.69 0.00 0.00 -1.00 -1.54 120.51 115.40 2weu n ALA 71 Ca 0.38 0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 2weu n ALA 71 Cb 1.32 -2.57 0.01 0.00 0.00 0.00 0.00 19.45 18.21 2weu n ALA 71 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2weu s GLY 72 N -2.24 2.04 0.26 0.00 0.00 0.12 -0.37 107.32 107.13 2weu s GLY 72 Ca 0.09 0.30 0.02 0.00 0.00 0.00 0.00 44.72 45.13 2weu s GLY 72 CO 0.11 0.61 0.13 -0.32 0.00 0.00 0.00 173.10 173.63 2weu s GLY 73 N -3.01 1.80 -0.01 0.20 0.00 0.06 -3.86 107.32 102.49 2weu s GLY 73 Ca 0.62 -1.80 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 2weu s GLY 73 CO 0.39 -1.54 0.15 -0.19 0.00 0.00 0.00 173.10 171.91 2weu s TYR 74 N -3.79 3.48 -0.17 1.90 1.51 -1.26 -1.51 117.35 117.50 2weu s TYR 74 Ca 0.37 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.77 2weu s TYR 74 Cb 0.06 -1.81 0.03 0.00 -0.11 0.00 0.00 41.96 40.13 2weu s TYR 74 CO 0.15 0.63 -0.16 0.21 -1.11 0.00 0.00 175.55 175.27 2weu s LYS 75 N -1.83 2.52 0.00 -0.62 2.20 -0.18 -3.45 119.74 118.39 2weu s LYS 75 Ca 0.25 -0.73 0.22 0.00 -0.36 0.00 0.00 55.97 55.35 2weu s LYS 75 Cb -0.12 -2.36 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 2weu s LYS 75 CO 0.16 -0.27 1.06 1.28 -0.36 0.00 0.00 175.35 177.23 2weu n LEU 76 N 4.69 0.88 0.00 5.43 4.77 0.13 -0.48 117.00 132.42 2weu n LEU 76 Ca -0.18 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2weu n LEU 76 Cb 0.49 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2weu n LEU 76 CO 0.23 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2weu n GLY 77 N 1.50 -0.44 3.22 -0.72 0.00 -1.26 -1.80 105.19 105.69 2weu n GLY 77 Ca 0.05 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 2weu n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2weu s ILE 78 N -2.99 2.29 -0.36 -0.61 1.01 -0.14 -1.75 121.20 118.65 2weu s ILE 78 Ca 0.00 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.47 2weu s ILE 78 Cb 0.00 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2weu s ILE 78 CO 0.00 0.54 0.95 -0.60 0.00 0.00 0.00 174.94 175.83 2weu s ARG 79 N 0.63 3.89 -0.36 2.79 3.52 0.49 -0.58 118.95 129.34 2weu s ARG 79 Ca -0.11 0.67 -0.16 0.00 -0.13 0.00 0.00 55.73 56.00 2weu s ARG 79 Cb -0.16 -3.79 -0.00 0.00 -1.56 0.00 0.00 34.95 29.44 2weu s ARG 79 CO 0.03 -0.92 0.41 -0.06 -0.81 0.00 0.00 175.30 173.95 2weu s PHE 80 N 3.48 3.20 -0.01 5.12 0.08 -0.02 -0.27 117.98 129.56 2weu s PHE 80 Ca 0.39 -0.02 0.07 0.00 0.12 0.00 0.00 56.93 57.49 2weu s PHE 80 Cb -0.12 -2.77 -0.02 0.00 -0.57 0.00 0.00 43.02 39.54 2weu s PHE 80 CO 0.18 -0.50 -0.22 -1.83 -0.10 0.00 0.00 175.22 172.75 2weu s GLU 81 N 2.14 1.72 -0.20 0.44 -1.05 -0.81 -1.99 118.70 118.95 2weu s GLU 81 Ca 0.14 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.16 2weu s GLU 81 Cb -0.16 -1.69 0.00 0.00 -0.44 0.00 0.00 34.13 31.84 2weu s GLU 81 CO 0.12 0.46 0.00 0.09 0.95 0.00 0.00 175.26 176.88 2weu n ASN 82 N 2.46 -3.67 0.10 0.83 3.02 -0.56 -1.20 115.26 116.24 2weu n ASN 82 Ca -0.16 0.05 -0.04 0.00 -0.03 0.00 0.00 54.58 54.41 2weu n ASN 82 Cb 0.53 -1.34 0.02 0.00 -0.61 0.00 0.00 39.78 38.37 2weu n ASN 82 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2weu h TRP 83 N 0.00 0.00 0.00 3.10 4.06 -1.87 -3.41 115.95 117.82 2weu h TRP 83 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2weu h TRP 83 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 2weu h TRP 83 CO 0.15 0.79 0.00 0.43 -3.56 0.00 0.00 178.44 176.25 2weu n SER 84 N -3.51 0.00 -4.73 -3.49 7.64 -1.26 -2.65 113.62 105.62 2weu n SER 84 Ca -0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2weu n SER 84 Cb 0.79 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.96 2weu n SER 84 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2weu s GLU 85 N 0.77 4.27 0.13 1.43 0.41 -1.26 -4.20 118.70 120.25 2weu s GLU 85 Ca 0.00 2.27 -0.33 0.00 -0.41 0.00 0.00 54.97 56.49 2weu s GLU 85 Cb 0.00 -3.15 -0.13 0.00 -1.78 0.00 0.00 34.13 29.07 2weu s GLU 85 CO 0.00 -0.46 1.65 -2.30 -0.49 0.00 0.00 175.26 173.66 2weu n PRO 86 N 3.05 2.28 -0.70 0.39 -0.02 -1.26 -1.79 135.00 136.95 2weu n PRO 86 Ca 0.09 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2weu n PRO 86 Cb 0.40 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2weu n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2weu n GLY 87 N 3.66 1.57 3.91 -1.23 0.00 -1.26 -5.01 105.19 106.84 2weu n GLY 87 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2weu n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2weu s GLU 88 N -0.01 3.59 0.20 1.61 0.41 -0.74 -4.85 118.70 118.91 2weu s GLU 88 Ca 0.00 -0.10 -0.14 0.00 -0.41 0.00 0.00 54.97 54.32 2weu s GLU 88 Cb 0.00 -2.68 0.01 0.00 -1.78 0.00 0.00 34.13 29.68 2weu s GLU 88 CO 0.00 0.23 0.44 1.52 -0.49 0.00 0.00 175.26 176.96 2weu s TYR 89 N -2.09 0.15 0.26 1.61 -0.85 -1.26 -1.49 117.35 113.68 2weu s TYR 89 Ca 0.42 -0.51 -0.16 0.00 -0.52 0.00 0.00 57.07 56.31 2weu s TYR 89 Cb -0.11 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.45 2weu s TYR 89 CO 0.31 -0.88 0.57 -0.59 -1.52 0.00 0.00 175.55 173.44 2weu s PHE 90 N -3.94 0.16 -0.06 -3.49 -0.12 -0.84 -4.86 117.98 104.83 2weu s PHE 90 Ca 0.15 -0.55 0.02 0.00 -0.05 0.00 0.00 56.93 56.49 2weu s PHE 90 Cb 0.00 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 2weu s PHE 90 CO 0.01 -1.08 -0.11 0.71 -0.05 0.00 0.00 175.22 174.69 2weu s TYR 91 N -3.98 2.80 -0.46 3.49 2.02 -1.26 -0.84 117.35 119.11 2weu s TYR 91 Ca 0.18 -0.14 -0.16 0.00 -0.37 0.00 0.00 57.07 56.58 2weu s TYR 91 Cb -0.03 -1.68 0.06 0.00 -0.40 0.00 0.00 41.96 39.91 2weu s TYR 91 CO 0.08 0.20 0.41 -1.58 -1.57 0.00 0.00 175.55 173.09 2weu s HIS 92 N -0.65 3.22 0.35 2.71 5.65 0.26 -4.83 115.29 122.00 2weu s HIS 92 Ca 0.10 -0.81 0.06 0.00 0.25 0.00 0.00 55.06 54.66 2weu s HIS 92 Cb -0.11 -3.11 -0.01 0.00 -1.18 0.00 0.00 32.58 28.17 2weu s HIS 92 CO 0.01 -0.79 0.50 -1.25 -0.65 0.00 0.00 174.74 172.56 2weu s PRO 93 N 1.79 3.10 -1.47 2.88 0.04 -1.26 -0.96 135.00 139.11 2weu s PRO 93 Ca 0.06 -0.96 -0.11 0.00 0.04 0.00 0.00 61.00 60.02 2weu s PRO 93 Cb -0.23 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.56 2weu s PRO 93 CO 0.08 0.01 2.39 1.19 0.04 0.00 0.00 177.00 180.71 2weu n PHE 94 N -1.70 3.06 -3.65 0.56 3.72 -0.75 -4.87 117.46 113.82 2weu n PHE 94 Ca 0.00 -2.97 -0.08 0.00 -0.05 0.00 0.00 57.45 54.36 2weu n PHE 94 Cb 0.58 -2.39 -0.08 0.00 -0.94 0.00 0.00 39.48 36.66 2weu n PHE 94 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2weu s GLU 95 N 2.11 0.62 0.55 -1.08 2.12 -1.26 -4.30 118.70 117.46 2weu s GLU 95 Ca 0.53 1.12 -0.13 0.00 0.36 0.00 0.00 54.97 56.85 2weu s GLU 95 Cb 0.15 0.12 -0.06 0.00 0.26 0.00 0.00 34.13 34.60 2weu s GLU 95 CO -0.07 -0.15 0.98 1.03 -0.54 0.00 0.00 175.26 176.51 2weu s ARG 96 N 1.63 3.78 0.25 4.30 0.52 -1.26 -5.01 118.95 123.17 2weu s ARG 96 Ca -0.10 0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 55.63 2weu s ARG 96 Cb -0.06 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.18 2weu s ARG 96 CO -0.18 -0.37 1.15 -0.51 0.02 0.00 0.00 175.30 175.41 2weu s LEU 97 N -4.52 4.51 0.67 2.53 1.43 -1.26 -5.03 118.68 117.00 2weu s LEU 97 Ca 0.56 2.30 -0.12 0.00 -1.03 0.00 0.00 54.13 55.84 2weu s LEU 97 Cb -0.10 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 2weu s LEU 97 CO 0.41 -0.25 1.06 -0.13 0.23 0.00 0.00 176.35 177.66 2weu s ARG 98 N -1.08 3.00 -0.10 1.70 0.52 -1.26 -4.83 118.95 116.90 2weu s ARG 98 Ca 0.48 1.02 0.02 0.00 -0.52 0.00 0.00 55.73 56.72 2weu s ARG 98 Cb -0.33 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.16 2weu s ARG 98 CO 0.41 -1.05 -0.16 0.08 0.02 0.00 0.00 175.30 174.60 2weu s VAL 99 N -2.91 1.53 -0.12 3.52 1.01 -1.26 -0.84 120.40 121.33 2weu s VAL 99 Ca 0.59 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2weu s VAL 99 Cb -0.14 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.88 2weu s VAL 99 CO 0.51 0.45 -0.14 -0.69 0.00 0.00 0.00 175.10 175.23 2weu s VAL 100 N 0.78 1.47 -1.54 2.92 1.01 0.21 -4.78 120.40 120.47 2weu s VAL 100 Ca -0.11 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 2weu s VAL 100 Cb -0.16 -1.37 0.09 0.00 0.00 0.00 0.00 36.38 34.94 2weu s VAL 100 CO 0.02 0.44 0.91 0.47 0.00 0.00 0.00 175.10 176.93 2weu n ASP 101 N 4.51 -4.08 0.00 3.32 9.92 -1.26 -1.85 116.55 127.12 2weu n ASP 101 Ca -0.18 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 2weu n ASP 101 Cb 0.51 -3.68 0.00 0.00 -0.64 0.00 0.00 41.12 37.31 2weu n ASP 101 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2weu n GLY 102 N -1.65 1.79 3.27 0.44 0.00 -1.26 -5.04 105.19 102.75 2weu n GLY 102 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2weu n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2weu s PHE 103 N -2.87 2.44 0.88 1.61 0.40 -0.77 -5.10 117.98 114.57 2weu s PHE 103 Ca 0.00 -0.72 -0.12 0.00 -0.60 0.00 0.00 56.93 55.49 2weu s PHE 103 Cb 0.00 -1.60 0.12 0.00 0.51 0.00 0.00 43.02 42.06 2weu s PHE 103 CO 0.00 -0.21 1.10 0.54 0.70 0.00 0.00 175.22 177.34 2weu s ASN 104 N -0.18 3.63 0.47 1.36 2.20 -1.26 -0.62 114.94 120.55 2weu s ASN 104 Ca -0.03 1.35 0.20 0.00 -0.94 0.00 0.00 52.86 53.44 2weu s ASN 104 Cb -0.14 -2.04 1.16 0.00 -2.00 0.00 0.00 41.25 38.24 2weu s ASN 104 CO 0.04 -2.52 2.01 0.24 -2.94 0.00 0.00 177.10 173.92 2weu h MET 105 N -1.47 0.00 -0.35 3.55 2.86 -1.31 -2.38 114.93 115.84 2weu h MET 105 Ca -0.50 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.10 2weu h MET 105 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 2weu h MET 105 CO 0.57 0.18 0.06 0.00 1.06 0.00 0.00 176.91 178.77 2weu h ALA 106 N 1.82 0.46 -0.44 6.32 0.00 -1.92 0.30 119.26 125.80 2weu h ALA 106 Ca -0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2weu h ALA 106 Cb 0.36 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2weu h ALA 106 CO 0.02 0.16 0.15 0.93 0.00 0.00 0.00 179.25 180.52 2weu h GLU 107 N 0.41 0.31 -0.30 0.00 4.39 -1.80 -2.10 114.58 115.49 2weu h GLU 107 Ca 0.11 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 2weu h GLU 107 Cb 0.35 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2weu h GLU 107 CO 0.01 0.21 -0.08 -1.49 -1.16 0.00 0.00 179.01 176.50 2weu h TRP 108 N 0.32 0.51 -0.58 4.33 4.06 -1.07 -2.69 115.95 120.83 2weu h TRP 108 Ca 0.21 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 61.07 2weu h TRP 108 Cb 0.21 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 2weu h TRP 108 CO -0.16 0.55 0.25 2.35 -3.56 0.00 0.00 178.44 177.88 2weu h TRP 109 N 0.45 0.87 -0.77 0.49 7.01 0.09 0.36 115.95 124.45 2weu h TRP 109 Ca 0.09 -0.06 0.10 0.00 2.11 0.00 0.00 58.89 61.13 2weu h TRP 109 Cb 0.42 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.16 2weu h TRP 109 CO 0.01 0.69 0.51 -0.07 -2.79 0.00 0.00 178.44 176.78 2weu h LEU 110 N 0.80 0.61 0.17 0.65 3.38 -1.07 -0.09 115.31 119.76 2weu h LEU 110 Ca 0.20 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.85 2weu h LEU 110 Cb 0.17 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2weu h LEU 110 CO -0.02 0.36 -1.68 0.00 0.09 0.00 0.00 178.44 177.19 2weu h ALA 111 N 1.61 0.17 0.00 1.53 0.00 -1.01 -3.43 119.26 118.14 2weu h ALA 111 Ca 0.36 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2weu h ALA 111 Cb 0.48 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2weu h ALA 111 CO -0.13 0.99 -0.04 1.33 0.00 0.00 0.00 179.25 181.40 2weu n VAL 112 N -3.67 0.26 -2.60 0.00 0.24 0.12 -5.09 118.33 107.58 2weu n VAL 112 Ca -0.25 -0.26 -0.25 0.00 -2.04 0.00 0.00 64.34 61.53 2weu n VAL 112 Cb 1.03 0.83 0.03 0.00 -1.47 0.00 0.00 33.84 34.25 2weu n VAL 112 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2weu s GLY 113 N -0.35 1.61 -0.87 7.63 0.00 -0.05 -4.97 107.32 110.31 2weu s GLY 113 Ca 0.01 -0.86 -0.25 0.00 0.00 0.00 0.00 44.72 43.62 2weu s GLY 113 CO 0.00 -0.61 1.41 -0.35 0.00 0.00 0.00 173.10 173.55 2weu s ASP 114 N -4.29 6.25 0.00 1.64 -1.08 -1.26 -4.85 116.67 113.08 2weu s ASP 114 Ca 0.52 -0.91 0.21 0.00 -0.52 0.00 0.00 52.55 51.86 2weu s ASP 114 Cb -0.10 -2.56 1.20 0.00 -1.46 0.00 0.00 42.92 40.00 2weu s ASP 114 CO 0.42 -1.74 1.65 0.54 0.52 0.00 0.00 175.17 176.57 2weu n ARG 115 N 9.12 0.56 0.10 4.34 5.12 -1.26 -2.97 116.66 131.67 2weu n ARG 115 Ca 0.19 0.03 -0.03 0.00 -1.93 0.00 0.00 57.85 56.11 2weu n ARG 115 Cb 0.50 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 2weu n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2weu h ARG 116 N 0.00 0.00 -5.98 5.56 3.08 -2.02 -3.47 114.38 111.55 2weu h ARG 116 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2weu h ARG 116 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 2weu h ARG 116 CO 0.00 0.78 -0.35 0.95 -1.07 0.00 0.00 179.97 180.28 2weu s THR 117 N -2.91 1.98 0.37 2.04 -4.23 -1.16 -5.08 115.64 106.66 2weu s THR 117 Ca 0.02 -1.49 -0.28 0.00 -1.18 0.00 0.00 61.69 58.76 2weu s THR 117 Cb 0.09 -2.47 -0.10 0.00 1.34 0.00 0.00 72.50 71.37 2weu s THR 117 CO 0.78 0.00 1.36 -0.94 -0.54 0.00 0.00 174.62 175.28 2weu s SER 118 N -4.19 6.49 0.29 3.99 1.04 -1.26 -4.90 113.70 115.15 2weu s SER 118 Ca 0.38 2.78 0.02 0.00 0.48 0.00 0.00 55.95 59.61 2weu s SER 118 Cb -0.01 -2.65 0.71 0.00 0.10 0.00 0.00 66.02 64.16 2weu s SER 118 CO 0.23 -0.74 1.64 0.15 0.98 0.00 0.00 173.24 175.49 2weu h PHE 119 N 3.03 0.29 0.00 5.02 3.57 -1.91 -2.47 116.94 124.47 2weu h PHE 119 Ca -0.50 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 60.99 2weu h PHE 119 Cb 1.24 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2weu h PHE 119 CO 0.54 -0.24 -0.30 0.66 -2.23 0.00 0.00 178.31 176.74 2weu h SER 120 N 0.17 0.00 -0.26 0.41 4.64 -1.90 -1.04 113.55 115.58 2weu h SER 120 Ca 0.55 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.76 2weu h SER 120 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2weu h SER 120 CO -0.69 0.30 -0.24 -0.08 -0.87 0.00 0.00 176.83 175.25 2weu h GLU 121 N 0.00 0.73 0.11 4.77 4.81 -1.73 -2.11 114.58 121.16 2weu h GLU 121 Ca -0.00 -0.30 -0.27 0.00 -0.13 0.00 0.00 59.36 58.66 2weu h GLU 121 Cb 0.58 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.94 2weu h GLU 121 CO 0.04 0.90 -1.19 0.00 -0.73 0.00 0.00 179.01 178.02 2weu h ALA 122 N 1.10 0.12 0.00 2.92 0.00 -1.42 -3.38 119.26 118.60 2weu h ALA 122 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2weu h ALA 122 Cb 0.74 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2weu h ALA 122 CO 0.06 0.85 -1.21 0.00 0.00 0.00 0.00 179.25 178.95 2weu s TYR 124 N -3.10 0.25 0.29 0.00 2.02 -0.80 -4.77 117.35 111.24 2weu s TYR 124 Ca 0.04 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 2weu s TYR 124 Cb 0.15 -0.33 0.51 0.00 -0.40 0.00 0.00 41.96 41.90 2weu s TYR 124 CO 0.87 -0.10 1.90 -0.07 -1.57 0.00 0.00 175.55 176.58 2weu h LEU 125 N 7.03 0.93 -1.11 -1.29 3.38 -1.88 -2.93 115.31 119.44 2weu h LEU 125 Ca -0.40 0.01 0.20 0.00 0.09 0.00 0.00 57.88 57.77 2weu h LEU 125 Cb 1.14 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 2weu h LEU 125 CO 0.48 0.59 0.61 0.74 0.09 0.00 0.00 178.44 180.96 2weu h THR 126 N 1.05 0.70 -0.31 0.22 2.02 -1.94 -1.71 112.91 112.93 2weu h THR 126 Ca 0.41 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.42 2weu h THR 126 Cb 0.22 -0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 66.50 2weu h THR 126 CO -0.16 0.13 -0.18 -0.74 0.37 0.00 0.00 175.52 174.93 2weu h HIS 127 N 0.69 -0.47 0.00 3.16 -0.00 -1.75 0.19 115.15 116.98 2weu h HIS 127 Ca 0.56 0.04 -0.14 0.00 -0.00 0.00 0.00 60.37 60.83 2weu h HIS 127 Cb 0.97 0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 28.61 2weu h HIS 127 CO -0.00 -0.26 -0.65 0.00 -0.00 0.00 0.00 177.93 177.01 2weu h ARG 128 N -0.15 0.00 -0.66 5.26 3.08 -1.51 -1.22 114.38 119.18 2weu h ARG 128 Ca 0.16 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2weu h ARG 128 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2weu h ARG 128 CO -0.40 0.65 0.31 -0.07 -1.07 0.00 0.00 179.97 179.40 2weu h LEU 129 N 0.00 0.87 -0.63 3.04 4.07 -0.67 -2.03 115.31 119.96 2weu h LEU 129 Ca -0.01 -0.14 -0.11 0.00 0.08 0.00 0.00 57.88 57.70 2weu h LEU 129 Cb 1.46 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.96 2weu h LEU 129 CO 0.09 0.77 -0.15 0.00 -1.08 0.00 0.00 178.44 178.06 2weu h GLU 131 N 0.81 0.61 -0.01 0.00 4.39 -1.03 -2.62 114.58 116.73 2weu h GLU 131 Ca 0.12 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2weu h GLU 131 Cb 0.69 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2weu h GLU 131 CO 0.05 0.63 -0.01 0.00 -1.16 0.00 0.00 179.01 178.52 2weu n ALA 132 N -2.47 2.63 -3.76 3.43 0.00 -0.78 -4.95 120.51 114.61 2weu n ALA 132 Ca 0.02 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 2weu n ALA 132 Cb 0.26 -1.26 0.04 0.00 0.00 0.00 0.00 19.45 18.49 2weu n ALA 132 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2weu n LYS 133 N -0.21 -5.98 -2.87 0.00 5.02 -0.71 -4.92 118.16 108.49 2weu n LYS 133 Ca 0.20 0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 56.83 2weu n LYS 133 Cb 0.29 -5.53 -0.07 0.00 -0.02 0.00 0.00 35.03 29.71 2weu n LYS 133 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2weu s ARG 134 N -6.30 4.21 0.49 1.97 1.81 -0.49 -0.53 118.95 120.12 2weu s ARG 134 Ca 0.43 1.06 -0.17 0.00 -1.72 0.00 0.00 55.73 55.33 2weu s ARG 134 Cb -0.21 -2.25 -0.08 0.00 -0.45 0.00 0.00 34.95 31.96 2weu s ARG 134 CO 0.80 0.01 0.96 0.00 -0.68 0.00 0.00 175.30 176.39 2weu s ALA 135 N -2.12 3.09 -1.74 2.13 0.00 -0.45 -4.26 121.76 118.40 2weu s ALA 135 Ca 0.60 0.18 0.29 0.00 0.00 0.00 0.00 51.96 53.03 2weu s ALA 135 Cb -0.10 -3.09 1.61 0.00 0.00 0.00 0.00 23.12 21.54 2weu s ALA 135 CO 0.14 -0.16 2.04 -0.35 0.00 0.00 0.00 175.76 177.43 2weu n PRO 136 N -1.40 0.69 -4.31 0.00 -0.04 -1.26 -4.74 135.00 123.93 2weu n PRO 136 Ca 0.06 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.32 2weu n PRO 136 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2weu n PRO 136 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2weu s ARG 137 N -2.26 1.01 0.72 0.54 0.52 -1.26 -1.71 118.95 116.52 2weu s ARG 137 Ca 0.36 -0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 54.50 2weu s ARG 137 Cb 0.20 -1.11 0.02 0.00 0.52 0.00 0.00 34.95 34.57 2weu s ARG 137 CO 0.38 0.26 1.07 -1.64 0.02 0.00 0.00 175.30 175.39 2weu s MET 138 N -1.57 2.73 0.49 3.54 -1.94 -0.17 -4.48 119.30 117.90 2weu s MET 138 Ca 0.03 0.88 0.24 0.00 -1.71 0.00 0.00 55.69 55.13 2weu s MET 138 Cb -0.09 -1.97 1.29 0.00 2.01 0.00 0.00 34.83 36.07 2weu s MET 138 CO 0.03 -1.23 1.92 -0.07 -0.01 0.00 0.00 175.02 175.66 2weu h LEU 139 N -0.81 0.16 0.00 -0.03 3.38 -1.93 0.37 115.31 116.44 2weu h LEU 139 Ca -0.45 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2weu h LEU 139 Cb 1.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2weu h LEU 139 CO 0.57 0.07 0.00 -0.90 0.09 0.00 0.00 178.44 178.27 2weu n ASP 140 N -4.39 0.00 0.00 -0.43 5.68 -1.26 -4.87 116.55 111.28 2weu n ASP 140 Ca 0.15 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 2weu n ASP 140 Cb 0.72 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 2weu n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2weu n GLY 141 N 0.59 0.31 3.75 6.12 0.00 0.13 -5.06 105.19 111.03 2weu n GLY 141 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2weu n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weu s SER 142 N -2.39 7.33 0.35 1.61 1.04 -1.24 -4.70 113.70 115.69 2weu s SER 142 Ca 0.00 2.13 -0.26 0.00 0.48 0.00 0.00 55.95 58.30 2weu s SER 142 Cb 0.00 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.42 2weu s SER 142 CO 0.00 -0.13 1.05 -0.22 0.98 0.00 0.00 173.24 174.92 2weu s LEU 143 N -0.88 4.31 0.00 2.42 2.96 -1.26 -1.00 118.68 125.22 2weu s LEU 143 Ca 0.46 2.09 0.02 0.00 -0.22 0.00 0.00 54.13 56.49 2weu s LEU 143 Cb -0.30 -3.97 0.15 0.00 0.50 0.00 0.00 46.19 42.57 2weu s LEU 143 CO 0.37 -0.32 0.71 2.22 -1.32 0.00 0.00 176.35 178.00 2weu n PHE 144 N 0.44 0.00 -4.18 5.38 -1.74 -0.69 -4.90 117.46 111.76 2weu n PHE 144 Ca 0.03 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.59 2weu n PHE 144 Cb 0.48 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.40 2weu n PHE 144 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2weu s SER 151 N -1.49 5.34 0.00 5.98 0.01 -1.26 -5.13 113.70 117.15 2weu s SER 151 Ca 0.04 0.03 0.28 0.00 1.31 0.00 0.00 55.95 57.61 2weu s SER 151 Cb 0.02 -1.44 1.15 0.00 0.21 0.00 0.00 66.02 65.96 2weu s SER 151 CO 0.03 0.26 1.80 0.18 0.41 0.00 0.00 173.24 175.92 2weu n LEU 152 N 1.17 1.19 0.00 2.44 4.77 -1.26 -5.02 117.00 120.28 2weu n LEU 152 Ca -0.13 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2weu n LEU 152 Cb 0.52 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2weu n LEU 152 CO 0.37 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2weu n GLY 153 N 1.17 3.05 3.41 -0.72 0.00 -1.26 -3.85 105.19 107.00 2weu n GLY 153 Ca 0.19 -0.20 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 2weu n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2weu s ARG 154 N 0.00 3.61 0.21 1.61 0.52 -1.26 -2.85 118.95 120.79 2weu s ARG 154 Ca 0.00 -1.99 0.03 0.00 -0.52 0.00 0.00 55.73 53.26 2weu s ARG 154 Cb 0.00 -4.77 -0.05 0.00 0.52 0.00 0.00 34.95 30.65 2weu s ARG 154 CO 0.00 -1.63 -0.01 -1.54 0.02 0.00 0.00 175.30 172.14 2weu s SER 155 N 3.17 1.75 0.48 0.23 1.04 -1.25 -5.03 113.70 114.09 2weu s SER 155 Ca 0.28 -1.19 0.03 0.00 0.48 0.00 0.00 55.95 55.56 2weu s SER 155 Cb -0.06 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2weu s SER 155 CO -0.09 -0.50 0.01 0.42 0.98 0.00 0.00 173.24 174.06 2weu s THR 156 N -3.44 1.44 0.50 2.02 -4.23 -1.26 -4.60 115.64 106.08 2weu s THR 156 Ca 0.27 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.04 2weu s THR 156 Cb 0.05 -2.44 0.44 0.00 1.34 0.00 0.00 72.50 71.89 2weu s THR 156 CO 0.07 0.00 1.90 -0.07 -0.54 0.00 0.00 174.62 175.99 2weu h LEU 157 N 1.48 0.11 -1.69 4.79 3.38 -1.94 -0.44 115.31 121.00 2weu h LEU 157 Ca -0.44 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2weu h LEU 157 Cb 1.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2weu h LEU 157 CO 0.76 0.04 0.00 0.00 0.09 0.00 0.00 178.44 179.34 2weu h ALA 158 N 1.61 1.00 -0.26 1.53 0.00 -2.00 -2.29 119.26 118.84 2weu h ALA 158 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2weu h ALA 158 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2weu h ALA 158 CO -0.05 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.59 2weu n GLU 159 N -2.62 2.09 -1.69 0.00 4.71 -0.18 -4.89 120.64 118.06 2weu n GLU 159 Ca -0.01 -1.65 -0.43 0.00 -0.01 0.00 0.00 57.16 55.06 2weu n GLU 159 Cb 0.14 -1.45 -0.03 0.00 -1.01 0.00 0.00 31.44 29.09 2weu n GLU 159 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2weu n GLN 160 N 0.87 2.69 0.00 3.49 7.27 -0.86 -4.89 117.38 125.95 2weu n GLN 160 Ca 0.17 0.98 0.00 0.00 0.07 0.00 0.00 57.00 58.22 2weu n GLN 160 Cb 0.46 -2.85 0.00 0.00 2.41 0.00 0.00 30.24 30.26 2weu n GLN 160 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2weu n ARG 161 N 5.33 0.00 -2.00 3.69 5.12 -1.26 -5.06 116.66 122.47 2weu n ARG 161 Ca 0.18 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.73 2weu n ARG 161 Cb 0.36 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.68 2weu n ARG 161 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2weu s ALA 162 N -2.00 2.74 -0.42 7.54 0.00 -1.26 -4.93 121.76 123.43 2weu s ALA 162 Ca 0.00 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 2weu s ALA 162 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2weu s ALA 162 CO 0.00 -1.10 1.48 -1.14 0.00 0.00 0.00 175.76 175.00 2weu s GLN 163 N -3.03 3.48 0.30 0.00 2.00 -1.26 -5.00 119.66 116.16 2weu s GLN 163 Ca 0.72 0.95 -0.29 0.00 -2.00 0.00 0.00 55.36 54.74 2weu s GLN 163 Cb -0.33 -4.07 -0.10 0.00 0.80 0.00 0.00 33.01 29.31 2weu s GLN 163 CO 0.38 -1.68 1.24 0.12 -0.50 0.00 0.00 175.29 174.85 2weu s PHE 164 N 5.81 3.24 -2.31 1.67 5.36 -1.26 -4.90 117.98 125.58 2weu s PHE 164 Ca 0.63 1.49 0.28 0.00 -0.96 0.00 0.00 56.93 58.37 2weu s PHE 164 Cb -0.15 -3.55 1.09 0.00 -0.34 0.00 0.00 43.02 40.07 2weu s PHE 164 CO 0.32 -1.44 1.76 -0.35 -1.46 0.00 0.00 175.22 174.05 2weu n PRO 165 N 1.10 1.45 -3.84 10.12 -0.04 -1.26 -4.79 135.00 137.74 2weu n PRO 165 Ca 0.00 -0.79 -0.09 0.00 -0.04 0.00 0.00 63.50 62.58 2weu n PRO 165 Cb 0.43 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 2weu n PRO 165 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2weu s TYR 166 N -2.09 0.15 0.00 0.54 -0.85 -1.26 -4.63 117.35 109.20 2weu s TYR 166 Ca 0.36 -0.53 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 2weu s TYR 166 Cb 0.21 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.57 2weu s TYR 166 CO 0.37 -0.64 0.00 0.00 -1.52 0.00 0.00 175.55 173.76 2weu n ALA 167 N -0.15 0.00 -2.48 9.51 0.00 0.37 -4.28 120.51 123.47 2weu n ALA 167 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 2weu n ALA 167 Cb 0.63 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 2weu n ALA 167 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2weu s TYR 168 N -0.17 1.80 -0.09 0.00 1.51 -1.26 -1.01 117.35 118.13 2weu s TYR 168 Ca 0.00 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 2weu s TYR 168 Cb 0.00 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 2weu s TYR 168 CO 0.00 0.28 -0.09 -1.01 -1.11 0.00 0.00 175.55 173.62 2weu s HIS 169 N -1.73 2.88 0.22 2.71 3.76 -0.57 -1.65 115.29 120.90 2weu s HIS 169 Ca 0.12 -0.19 -0.17 0.00 -0.15 0.00 0.00 55.06 54.68 2weu s HIS 169 Cb -0.07 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.88 2weu s HIS 169 CO 0.06 0.15 0.55 -0.59 -0.85 0.00 0.00 174.74 174.05 2weu s PHE 170 N -0.40 -0.03 -0.56 1.40 -0.00 -0.49 -0.76 117.98 117.14 2weu s PHE 170 Ca 0.05 -0.34 -0.28 0.00 -0.00 0.00 0.00 56.93 56.36 2weu s PHE 170 Cb -0.12 0.41 0.03 0.00 -0.00 0.00 0.00 43.02 43.33 2weu s PHE 170 CO 0.02 -0.99 1.23 0.34 -0.00 0.00 0.00 175.22 175.82 2weu s ASP 171 N -2.91 6.42 0.42 1.98 -1.08 -0.59 -0.81 116.67 120.09 2weu s ASP 171 Ca 0.12 0.20 0.18 0.00 -0.52 0.00 0.00 52.55 52.53 2weu s ASP 171 Cb -0.02 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.81 2weu s ASP 171 CO 0.02 -1.49 1.88 0.00 0.52 0.00 0.00 175.17 176.09 2weu h ALA 172 N 9.78 1.28 -0.59 3.66 0.00 -1.88 -2.03 119.26 129.48 2weu h ALA 172 Ca -0.25 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2weu h ALA 172 Cb 1.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2weu h ALA 172 CO 1.18 0.37 0.21 -0.44 0.00 0.00 0.00 179.25 180.57 2weu h ASP 173 N 0.00 0.83 -0.58 0.00 3.32 -1.91 0.46 116.42 118.54 2weu h ASP 173 Ca -0.00 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 2weu h ASP 173 Cb 0.61 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2weu h ASP 173 CO 0.04 0.79 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.98 2weu h GLU 174 N 0.82 1.04 -0.43 3.56 4.39 -1.77 -0.74 114.58 121.45 2weu h GLU 174 Ca 0.19 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 59.56 2weu h GLU 174 Cb 0.23 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2weu h GLU 174 CO -0.01 1.04 0.25 0.28 -1.16 0.00 0.00 179.01 179.41 2weu h VAL 175 N 0.93 1.05 -0.82 3.13 2.07 -1.13 0.35 116.25 121.83 2weu h VAL 175 Ca 0.16 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2weu h VAL 175 Cb 0.60 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2weu h VAL 175 CO 0.04 0.09 0.51 0.00 0.02 0.00 0.00 177.57 178.23 2weu h ALA 176 N 1.19 1.04 -0.58 1.67 0.00 -0.56 0.14 119.26 122.17 2weu h ALA 176 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2weu h ALA 176 Cb 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2weu h ALA 176 CO -0.08 0.49 0.32 -0.09 0.00 0.00 0.00 179.25 179.89 2weu h ARG 177 N 1.12 0.81 -0.31 0.00 2.43 -0.73 -0.08 114.38 117.63 2weu h ARG 177 Ca 0.30 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2weu h ARG 177 Cb -0.07 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2weu h ARG 177 CO -0.06 0.62 0.20 -0.92 -1.51 0.00 0.00 179.97 178.31 2weu h TYR 178 N 0.79 0.38 -0.21 2.20 3.20 -0.21 -2.17 116.97 120.95 2weu h TYR 178 Ca 0.20 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 2weu h TYR 178 Cb 0.05 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2weu h TYR 178 CO -0.01 0.24 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.47 2weu h LEU 179 N 0.41 0.36 -0.99 2.82 3.38 -0.75 -2.49 115.31 118.05 2weu h LEU 179 Ca 0.11 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2weu h LEU 179 Cb -0.05 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2weu h LEU 179 CO -0.02 0.59 0.58 0.77 0.09 0.00 0.00 178.44 180.45 2weu h SER 180 N 0.34 1.12 -0.38 -0.43 4.64 -0.48 0.20 113.55 118.56 2weu h SER 180 Ca 0.06 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2weu h SER 180 Cb 0.57 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2weu h SER 180 CO 0.04 0.85 0.20 -0.33 -0.87 0.00 0.00 176.83 176.72 2weu h GLU 181 N 1.30 0.53 -0.17 4.77 5.08 -0.98 -0.24 114.58 124.87 2weu h GLU 181 Ca 0.34 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2weu h GLU 181 Cb -0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2weu h GLU 181 CO -0.07 0.45 0.04 -0.92 -1.00 0.00 0.00 179.01 177.51 2weu h TYR 182 N 0.48 0.07 -0.30 4.33 3.20 -1.02 -0.66 116.97 123.07 2weu h TYR 182 Ca 0.13 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2weu h TYR 182 Cb 0.07 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2weu h TYR 182 CO -0.02 0.03 -0.03 0.00 -1.64 0.00 0.00 178.16 176.50 2weu h ALA 183 N 1.12 0.41 -0.47 1.82 0.00 -0.39 -2.63 119.26 119.13 2weu h ALA 183 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2weu h ALA 183 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2weu h ALA 183 CO -0.09 0.20 -0.15 0.82 0.00 0.00 0.00 179.25 180.03 2weu h ILE 184 N 0.34 1.27 -0.26 0.00 2.04 -0.97 -1.84 117.51 118.09 2weu h ILE 184 Ca 0.08 -1.27 0.06 0.00 1.00 0.00 0.00 64.86 64.74 2weu h ILE 184 Cb 0.49 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2weu h ILE 184 CO 0.02 0.44 0.18 0.00 0.00 0.00 0.00 178.15 178.79 2weu h ALA 185 N 1.04 2.15 -0.59 1.87 0.00 -0.97 -1.61 119.26 121.15 2weu h ALA 185 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2weu h ALA 185 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2weu h ALA 185 CO 0.05 -0.22 0.00 0.54 0.00 0.00 0.00 179.25 179.62 2weu n ARG 186 N -4.47 2.44 0.00 0.00 1.74 -0.75 -4.93 116.66 110.69 2weu n ARG 186 Ca 0.03 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 2weu n ARG 186 Cb 0.29 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2weu n ARG 186 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2weu n GLY 187 N 1.42 0.76 3.71 -0.13 0.00 -0.61 -4.89 105.19 105.45 2weu n GLY 187 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2weu n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2weu s VAL 188 N -2.00 3.07 -0.27 1.61 1.01 -0.86 -4.71 120.40 118.25 2weu s VAL 188 Ca 0.00 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 62.46 2weu s VAL 188 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2weu s VAL 188 CO 0.00 0.05 0.90 -0.60 0.00 0.00 0.00 175.10 175.45 2weu s ARG 189 N 1.31 4.12 -0.26 2.72 3.52 0.21 -4.46 118.95 126.11 2weu s ARG 189 Ca 0.67 0.95 -0.12 0.00 -0.13 0.00 0.00 55.73 57.10 2weu s ARG 189 Cb -0.39 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 2weu s ARG 189 CO 0.30 -0.65 0.25 -1.58 -0.81 0.00 0.00 175.30 172.82 2weu s HIS 190 N 3.09 3.27 -0.20 5.12 5.65 -1.26 -0.70 115.29 130.26 2weu s HIS 190 Ca 0.38 0.28 -0.00 0.00 0.25 0.00 0.00 55.06 55.96 2weu s HIS 190 Cb -0.14 -2.42 0.01 0.00 -1.18 0.00 0.00 32.58 28.85 2weu s HIS 190 CO 0.10 -0.11 -0.15 0.08 -0.65 0.00 0.00 174.74 174.01 2weu s VAL 191 N 1.63 2.45 -0.41 0.89 1.01 0.01 -4.98 120.40 121.00 2weu s VAL 191 Ca 0.11 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2weu s VAL 191 Cb -0.15 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2weu s VAL 191 CO 0.09 0.47 0.46 -0.69 0.00 0.00 0.00 175.10 175.43 2weu s VAL 192 N 1.34 5.06 0.04 2.92 1.01 -1.26 -0.61 120.40 128.90 2weu s VAL 192 Ca 0.05 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 2weu s VAL 192 Cb -0.14 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.30 2weu s VAL 192 CO -0.10 -0.41 1.07 -0.62 0.00 0.00 0.00 175.10 175.04 2weu s ASP 193 N 1.82 -0.17 -0.16 3.32 -1.08 0.01 -4.92 116.67 115.49 2weu s ASP 193 Ca 0.13 -0.21 -0.07 0.00 -0.52 0.00 0.00 52.55 51.89 2weu s ASP 193 Cb -0.17 0.34 -0.04 0.00 -1.46 0.00 0.00 42.92 41.59 2weu s ASP 193 CO 0.14 -0.60 0.08 -1.81 0.52 0.00 0.00 175.17 173.49 2weu s ASP 194 N -2.78 5.78 -0.22 -0.34 1.01 -1.26 -3.06 116.67 115.79 2weu s ASP 194 Ca 0.11 0.17 -0.27 0.00 0.71 0.00 0.00 52.55 53.27 2weu s ASP 194 Cb 0.00 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 42.00 2weu s ASP 194 CO -0.02 0.24 0.96 -0.69 0.21 0.00 0.00 175.17 175.86 2weu s VAL 195 N -0.01 4.75 -0.12 -1.27 1.01 -1.26 -1.98 120.40 121.53 2weu s VAL 195 Ca 0.07 1.87 0.07 0.00 0.00 0.00 0.00 61.98 63.98 2weu s VAL 195 Cb -0.12 -4.24 -0.24 0.00 0.00 0.00 0.00 36.38 31.78 2weu s VAL 195 CO 0.01 -0.11 0.36 0.00 0.00 0.00 0.00 175.10 175.36 2weu n GLN 196 N 6.02 0.68 -3.73 2.72 1.13 0.20 -4.98 117.38 119.41 2weu n GLN 196 Ca 0.09 0.21 -0.14 0.00 -1.94 0.00 0.00 57.00 55.23 2weu n GLN 196 Cb 0.47 -1.69 -0.09 0.00 0.11 0.00 0.00 30.24 29.04 2weu n GLN 196 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2weu s HIS 197 N -2.56 -0.32 -0.26 1.08 2.46 -1.16 -5.01 115.29 109.51 2weu s HIS 197 Ca -0.14 0.67 -0.04 0.00 0.47 0.00 0.00 55.06 56.01 2weu s HIS 197 Cb 0.07 0.14 0.01 0.00 -0.13 0.00 0.00 32.58 32.67 2weu s HIS 197 CO 0.78 -0.33 0.00 0.08 -2.47 0.00 0.00 174.74 172.81 2weu s VAL 198 N -0.67 3.50 0.31 0.89 1.01 -1.26 -0.05 120.40 124.12 2weu s VAL 198 Ca -0.08 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 2weu s VAL 198 Cb -0.04 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 2weu s VAL 198 CO 0.03 0.22 0.86 -0.83 0.00 0.00 0.00 175.10 175.39 2weu s GLY 199 N 1.45 2.66 0.13 4.51 0.00 -0.12 -4.99 107.32 110.96 2weu s GLY 199 Ca 0.03 0.37 0.08 0.00 0.00 0.00 0.00 44.72 45.19 2weu s GLY 199 CO -0.01 0.75 -0.18 1.20 0.00 0.00 0.00 173.10 174.86 2weu s GLN 200 N -2.23 1.14 0.50 2.90 -0.21 -1.26 -0.43 119.66 120.07 2weu s GLN 200 Ca 0.50 -1.26 -0.01 0.00 0.02 0.00 0.00 55.36 54.61 2weu s GLN 200 Cb -0.16 -1.23 0.10 0.00 1.00 0.00 0.00 33.01 32.71 2weu s GLN 200 CO 0.21 0.26 0.68 -0.40 -2.12 0.00 0.00 175.29 173.92 2weu n ASP 201 N 0.68 0.87 0.18 5.90 5.68 -0.21 -4.76 116.55 124.89 2weu n ASP 201 Ca -0.16 -1.75 0.13 0.00 -0.50 0.00 0.00 54.79 52.51 2weu n ASP 201 Cb 0.56 -0.44 0.60 0.00 -1.14 0.00 0.00 41.12 40.69 2weu n ASP 201 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2weu h GLU 202 N 0.00 0.00 -0.02 0.11 4.11 -2.02 -0.35 114.58 116.41 2weu h GLU 202 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2weu h GLU 202 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2weu h GLU 202 CO 0.24 0.00 -0.05 0.54 0.07 0.00 0.00 179.01 179.81 2weu n ARG 203 N -2.44 1.70 -0.87 1.06 5.12 -1.26 -4.94 116.66 115.03 2weu n ARG 203 Ca 0.01 -1.12 0.00 0.00 -1.93 0.00 0.00 57.85 54.80 2weu n ARG 203 Cb 0.18 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 2weu n ARG 203 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2weu n GLY 204 N 1.24 0.59 3.83 -0.13 0.00 -0.14 -5.06 105.19 105.52 2weu n GLY 204 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2weu n GLY 204 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2weu s TRP 205 N -2.13 3.25 0.06 1.61 0.52 -1.26 -4.78 118.94 116.21 2weu s TRP 205 Ca 0.00 1.49 -0.31 0.00 0.02 0.00 0.00 56.10 57.30 2weu s TRP 205 Cb 0.00 -2.89 -0.06 0.00 -1.15 0.00 0.00 33.47 29.37 2weu s TRP 205 CO 0.00 -0.69 1.30 0.42 0.02 0.00 0.00 176.95 178.00 2weu s ILE 206 N -2.55 3.74 -0.32 2.03 1.01 -1.26 -1.04 121.20 122.81 2weu s ILE 206 Ca 0.61 1.22 0.19 0.00 0.00 0.00 0.00 60.65 62.67 2weu s ILE 206 Cb -0.13 -3.78 -0.26 0.00 0.01 0.00 0.00 42.46 38.30 2weu s ILE 206 CO 0.34 0.07 0.54 -1.54 0.00 0.00 0.00 174.94 174.35 2weu n SER 207 N 4.31 0.72 0.00 3.58 3.41 0.43 -4.82 113.62 121.25 2weu n SER 207 Ca 0.11 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2weu n SER 207 Cb 0.44 1.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.97 2weu n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2weu n GLY 208 N 1.42 1.93 3.41 5.00 0.00 -1.22 -4.53 105.19 111.20 2weu n GLY 208 Ca -0.01 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 2weu n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2weu s VAL 209 N -2.00 3.27 -0.30 1.61 -7.23 0.00 -0.95 120.40 114.80 2weu s VAL 209 Ca 0.00 -0.58 -0.15 0.00 -1.81 0.00 0.00 61.98 59.44 2weu s VAL 209 Cb 0.00 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 2weu s VAL 209 CO 0.00 0.52 0.35 -1.00 -0.31 0.00 0.00 175.10 174.66 2weu s HIS 210 N 0.33 3.23 0.17 2.82 3.76 0.93 -0.85 115.29 125.67 2weu s HIS 210 Ca -0.09 0.21 0.05 0.00 -0.15 0.00 0.00 55.06 55.08 2weu s HIS 210 Cb -0.15 -2.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 2weu s HIS 210 CO 0.05 -0.30 0.16 0.95 -0.85 0.00 0.00 174.74 174.74 2weu s THR 211 N 2.02 4.59 0.23 1.30 -4.23 0.74 0.60 115.64 120.89 2weu s THR 211 Ca 0.13 -1.05 -0.07 0.00 -1.18 0.00 0.00 61.69 59.51 2weu s THR 211 Cb -0.16 -3.35 0.20 0.00 1.34 0.00 0.00 72.50 70.53 2weu s THR 211 CO 0.11 -0.12 1.88 0.50 -0.54 0.00 0.00 174.62 176.45 2weu h LYS 212 N 2.32 1.04 0.00 3.99 3.64 -1.69 -3.24 116.57 122.63 2weu h LYS 212 Ca -0.48 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2weu h LYS 212 Cb 1.20 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2weu h LYS 212 CO 0.64 0.69 -0.65 1.04 -2.27 0.00 0.00 179.45 178.90 2weu n GLN 213 N -4.55 2.36 -0.21 1.90 1.13 -1.26 -4.73 117.38 112.02 2weu n GLN 213 Ca 0.10 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.23 2weu n GLN 213 Cb 0.08 -0.82 0.16 0.00 0.11 0.00 0.00 30.24 29.78 2weu n GLN 213 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2weu n HIS 214 N -1.28 0.44 -4.68 1.08 8.25 -1.26 -5.10 115.22 112.67 2weu n HIS 214 Ca 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 2weu n HIS 214 Cb 0.00 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 30.95 2weu n HIS 214 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2weu n GLY 215 N -0.47 1.18 3.69 -1.41 0.00 -1.22 -4.63 105.19 102.33 2weu n GLY 215 Ca 0.14 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 2weu n GLY 215 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2weu s GLU 216 N 0.00 4.27 -0.28 1.61 2.12 -1.26 -0.19 118.70 124.97 2weu s GLU 216 Ca 0.00 0.50 -0.07 0.00 0.36 0.00 0.00 54.97 55.76 2weu s GLU 216 Cb 0.00 -3.51 -0.00 0.00 0.26 0.00 0.00 34.13 30.88 2weu s GLU 216 CO 0.00 -0.04 0.06 0.42 -0.54 0.00 0.00 175.26 175.16 2weu s ILE 217 N 1.26 3.98 0.28 -3.70 1.01 -0.03 -4.94 121.20 119.06 2weu s ILE 217 Ca 0.27 -0.55 0.10 0.00 0.00 0.00 0.00 60.65 60.46 2weu s ILE 217 Cb -0.16 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2weu s ILE 217 CO 0.11 0.18 -0.01 -0.55 0.00 0.00 0.00 174.94 174.66 2weu s SER 218 N 1.52 4.43 0.02 3.58 0.15 -1.26 -0.82 113.70 121.33 2weu s SER 218 Ca 0.04 -0.71 -0.27 0.00 0.70 0.00 0.00 55.95 55.70 2weu s SER 218 Cb -0.16 -0.76 0.09 0.00 -1.71 0.00 0.00 66.02 63.48 2weu s SER 218 CO 0.02 -0.03 1.24 -0.83 1.20 0.00 0.00 173.24 174.84 2weu s GLY 219 N -3.67 -0.11 0.01 9.45 0.00 -1.26 -4.90 107.32 106.84 2weu s GLY 219 Ca 0.32 0.04 -0.09 0.00 0.00 0.00 0.00 44.72 44.99 2weu s GLY 219 CO 0.20 4.40 0.91 -0.55 0.00 0.00 0.00 173.10 178.05 2weu h ASP 220 N 2.00 0.58 -3.83 1.64 3.32 -1.77 -3.46 116.42 114.90 2weu h ASP 220 Ca -0.24 -0.72 -0.48 0.00 0.02 0.00 0.00 57.03 55.61 2weu h ASP 220 Cb 1.19 -0.19 -0.31 0.00 0.22 0.00 0.00 39.33 40.24 2weu h ASP 220 CO 0.32 1.59 -0.81 -0.22 -1.72 0.00 0.00 179.24 178.40 2weu s LEU 221 N -7.26 1.82 -0.09 1.55 2.96 -0.92 -4.89 118.68 111.85 2weu s LEU 221 Ca -0.10 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2weu s LEU 221 Cb 0.06 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 2weu s LEU 221 CO 0.89 0.10 -0.15 -0.36 -1.32 0.00 0.00 176.35 175.50 2weu s PHE 222 N 0.16 2.73 -0.23 5.38 0.08 0.27 -1.01 117.98 125.36 2weu s PHE 222 Ca -0.04 -0.48 -0.04 0.00 0.12 0.00 0.00 56.93 56.49 2weu s PHE 222 Cb -0.10 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2weu s PHE 222 CO 0.01 -0.07 -0.04 0.08 -0.10 0.00 0.00 175.22 175.10 2weu s VAL 223 N -0.09 3.29 -0.59 -0.44 1.01 0.42 -1.10 120.40 122.91 2weu s VAL 223 Ca -0.02 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 2weu s VAL 223 Cb -0.14 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.74 2weu s VAL 223 CO 0.04 0.34 0.96 -0.62 0.00 0.00 0.00 175.10 175.82 2weu s ASP 224 N 1.44 6.28 -0.33 3.32 -1.08 0.14 -0.18 116.67 126.27 2weu s ASP 224 Ca 0.04 -0.54 0.06 0.00 -0.52 0.00 0.00 52.55 51.60 2weu s ASP 224 Cb -0.15 -2.44 0.46 0.00 -1.46 0.00 0.00 42.92 39.33 2weu s ASP 224 CO -0.03 -1.31 1.32 0.00 0.52 0.00 0.00 175.17 175.66 2weu n THR 226 N -0.81 0.20 -4.37 0.00 -2.24 -1.13 -4.28 114.28 101.65 2weu n THR 226 Ca 0.43 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2weu n THR 226 Cb 0.91 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2weu n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2weu n GLY 227 N 1.00 -0.07 0.35 3.38 0.00 -1.26 -3.77 105.19 104.82 2weu n GLY 227 Ca 0.14 -0.98 0.17 0.00 0.00 0.00 0.00 46.02 45.35 2weu n GLY 227 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2weu h PHE 228 N 0.00 0.00 -0.95 1.61 0.04 -1.94 -0.71 116.94 114.98 2weu h PHE 228 Ca 0.00 0.00 0.22 0.00 2.80 0.00 0.00 57.97 60.99 2weu h PHE 228 Cb 0.00 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.03 2weu h PHE 228 CO 0.00 0.00 0.51 -0.09 -0.60 0.00 0.00 178.31 178.13 2weu h ARG 229 N 0.00 0.52 -6.46 1.51 2.43 -1.92 -3.47 114.38 106.99 2weu h ARG 229 Ca 0.16 -0.03 -0.49 0.00 -0.81 0.00 0.00 59.98 58.80 2weu h ARG 229 Cb 0.69 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 2weu h ARG 229 CO -0.00 0.34 -0.88 0.41 -1.51 0.00 0.00 179.97 178.34 2weu n GLY 230 N -1.32 -0.25 0.31 2.80 0.00 -0.30 -4.56 105.19 101.88 2weu n GLY 230 Ca 0.24 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.47 2weu n GLY 230 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2weu h LEU 231 N -1.83 0.60 0.00 0.99 5.85 -1.86 -0.14 115.31 118.92 2weu h LEU 231 Ca -0.63 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 2weu h LEU 231 Cb 1.37 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 2weu h LEU 231 CO 0.63 0.28 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.37 2weu h LEU 232 N 0.69 0.00 -1.01 2.25 3.38 -1.94 -2.54 115.31 116.14 2weu h LEU 232 Ca 0.46 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 2weu h LEU 232 Cb 0.61 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2weu h LEU 232 CO -0.34 0.82 0.21 -0.29 0.09 0.00 0.00 178.44 178.93 2weu h ILE 233 N -1.00 1.23 0.00 1.22 6.09 -1.94 -1.24 117.51 121.87 2weu h ILE 233 Ca -0.03 -0.76 -0.20 0.00 -1.37 0.00 0.00 64.86 62.50 2weu h ILE 233 Cb 0.57 0.53 -0.03 0.00 0.47 0.00 0.00 36.82 38.35 2weu h ILE 233 CO -0.02 0.30 -1.60 0.59 -3.07 0.00 0.00 178.15 174.35 2weu n ASN 234 N -4.29 1.80 0.11 2.19 5.03 -0.20 -0.62 115.26 119.27 2weu n ASN 234 Ca 0.05 0.31 -0.01 0.00 0.87 0.00 0.00 54.58 55.79 2weu n ASN 234 Cb 0.20 -0.71 0.25 0.00 -1.02 0.00 0.00 39.78 38.49 2weu n ASN 234 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2weu h GLN 235 N -0.89 0.21 0.00 3.52 4.20 -1.27 -2.65 115.11 118.23 2weu h GLN 235 Ca -0.30 -0.09 -0.29 0.00 0.06 0.00 0.00 58.65 58.03 2weu h GLN 235 Cb 1.20 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 2weu h GLN 235 CO -0.18 0.57 -1.82 2.41 -0.67 0.00 0.00 178.83 179.14 2weu n THR 236 N -4.05 1.52 1.20 -0.54 -1.04 -0.96 -4.64 114.28 105.77 2weu n THR 236 Ca -0.01 -0.16 0.13 0.00 -2.04 0.00 0.00 64.05 61.96 2weu n THR 236 Cb 0.46 -2.05 0.32 0.00 -1.82 0.00 0.00 70.33 67.23 2weu n THR 236 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2weu n LEU 237 N -4.36 1.16 -0.91 -4.42 4.77 -0.49 -4.95 117.00 107.81 2weu n LEU 237 Ca -0.38 -0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 55.17 2weu n LEU 237 Cb 0.72 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 2weu n LEU 237 CO 0.10 0.22 -0.11 0.61 -1.33 0.00 0.00 177.39 176.89 2weu n GLY 238 N 1.36 0.50 3.68 -0.72 0.00 -1.00 -4.96 105.19 104.05 2weu n GLY 238 Ca 0.12 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 2weu n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weu n GLY 239 N -1.39 0.85 3.70 -0.02 0.00 0.21 -4.96 105.19 103.58 2weu n GLY 239 Ca -0.10 0.48 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 2weu n GLY 239 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2weu s ARG 240 N -0.51 4.35 -0.20 1.61 0.52 -1.26 -4.64 118.95 118.83 2weu s ARG 240 Ca 0.67 0.79 -0.17 0.00 -0.52 0.00 0.00 55.73 56.50 2weu s ARG 240 Cb -0.62 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.32 2weu s ARG 240 CO 0.50 -0.06 0.45 0.12 0.02 0.00 0.00 175.30 176.33 2weu s PHE 241 N 1.27 3.38 -0.39 -0.53 5.36 -1.26 -0.79 117.98 125.02 2weu s PHE 241 Ca 0.34 0.69 -0.16 0.00 -0.96 0.00 0.00 56.93 56.85 2weu s PHE 241 Cb -0.17 -2.58 0.01 0.00 -0.34 0.00 0.00 43.02 39.94 2weu s PHE 241 CO 0.15 -0.04 0.37 -1.14 -1.46 0.00 0.00 175.22 173.10 2weu s GLN 242 N 1.40 3.25 0.29 10.12 0.74 0.10 -4.94 119.66 130.61 2weu s GLN 242 Ca 0.21 -0.70 -0.28 0.00 0.05 0.00 0.00 55.36 54.65 2weu s GLN 242 Cb -0.15 -3.91 -0.09 0.00 1.10 0.00 0.00 33.01 29.96 2weu s GLN 242 CO 0.09 -0.70 0.99 0.45 -0.55 0.00 0.00 175.29 175.57 2weu s SER 243 N 1.75 7.39 -0.09 6.67 0.15 -1.26 -1.55 113.70 126.77 2weu s SER 243 Ca 0.10 2.01 0.17 0.00 0.70 0.00 0.00 55.95 58.93 2weu s SER 243 Cb -0.17 -2.60 0.66 0.00 -1.71 0.00 0.00 66.02 62.19 2weu s SER 243 CO 0.12 -0.03 1.55 0.49 1.20 0.00 0.00 173.24 176.57 2weu n PHE 244 N 1.03 1.31 0.03 3.44 3.72 -0.74 -4.66 117.46 121.60 2weu n PHE 244 Ca -0.00 -0.54 0.17 0.00 -0.05 0.00 0.00 57.45 57.03 2weu n PHE 244 Cb 0.47 -0.20 0.66 0.00 -0.94 0.00 0.00 39.48 39.47 2weu n PHE 244 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2weu h SER 245 N 3.82 0.05 0.38 4.37 0.02 -1.76 0.94 113.55 121.36 2weu h SER 245 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2weu h SER 245 Cb 1.29 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 2weu h SER 245 CO 0.19 0.03 -0.27 -2.24 -1.14 0.00 0.00 176.83 173.39 2weu h ASP 246 N 0.06 0.00 0.00 3.07 2.03 -1.97 -3.20 116.42 116.40 2weu h ASP 246 Ca 0.21 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.46 2weu h ASP 246 Cb 0.78 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.27 2weu h ASP 246 CO -0.01 0.27 -1.46 1.33 -1.03 0.00 0.00 179.24 178.34 2weu n VAL 247 N -3.99 0.18 -3.64 4.15 0.24 -0.52 -4.38 118.33 110.37 2weu n VAL 247 Ca -0.02 -0.25 -0.29 0.00 -2.04 0.00 0.00 64.34 61.74 2weu n VAL 247 Cb 0.34 -0.05 -0.12 0.00 -1.47 0.00 0.00 33.84 32.54 2weu n VAL 247 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2weu s LEU 248 N -3.94 2.37 0.00 1.34 1.43 0.21 -4.90 118.68 115.19 2weu s LEU 248 Ca -0.04 -2.68 0.28 0.00 -1.03 0.00 0.00 54.13 50.66 2weu s LEU 248 Cb 0.05 -0.89 1.34 0.00 0.03 0.00 0.00 46.19 46.72 2weu s LEU 248 CO 0.36 -0.25 1.93 -0.81 0.23 0.00 0.00 176.35 177.82 2weu n PRO 249 N 3.45 0.29 -1.84 1.29 -0.04 -1.21 -4.22 135.00 132.71 2weu n PRO 249 Ca 0.12 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.19 2weu n PRO 249 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2weu n PRO 249 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2weu s ASN 250 N -2.69 6.49 0.00 3.54 0.01 -1.26 -4.62 114.94 116.41 2weu s ASN 250 Ca 0.23 2.73 0.00 0.00 -0.71 0.00 0.00 52.86 55.11 2weu s ASN 250 Cb 0.18 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.25 2weu s ASN 250 CO 0.44 -0.89 0.06 -0.46 -1.51 0.00 0.00 177.10 174.74 2weu n ASN 251 N 3.92 0.11 -4.06 -1.22 0.23 -0.33 -4.89 115.26 109.02 2weu n ASN 251 Ca 0.15 -0.46 -0.09 0.00 -0.53 0.00 0.00 54.58 53.64 2weu n ASN 251 Cb 0.37 0.19 -0.09 0.00 -2.08 0.00 0.00 39.78 38.17 2weu n ASN 251 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2weu s ARG 252 N -0.19 0.84 0.08 -3.83 0.52 -0.89 0.24 118.95 115.73 2weu s ARG 252 Ca 0.00 -1.26 -0.09 0.00 -0.52 0.00 0.00 55.73 53.86 2weu s ARG 252 Cb 0.00 0.27 -0.00 0.00 0.52 0.00 0.00 34.95 35.74 2weu s ARG 252 CO 0.00 -0.24 0.19 0.00 0.02 0.00 0.00 175.30 175.28 2weu s ALA 253 N -3.97 -0.25 -0.03 2.13 0.00 -0.66 -1.28 121.76 117.70 2weu s ALA 253 Ca 0.15 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2weu s ALA 253 Cb 0.07 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.67 2weu s ALA 253 CO -0.04 -0.50 -0.03 0.54 0.00 0.00 0.00 175.76 175.73 2weu s VAL 254 N -3.73 0.39 0.07 0.00 0.11 -0.27 -1.24 120.40 115.74 2weu s VAL 254 Ca 0.04 -0.10 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 2weu s VAL 254 Cb 0.04 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 2weu s VAL 254 CO -0.10 0.16 -0.12 0.00 -3.33 0.00 0.00 175.10 171.71 2weu s ALA 255 N 0.59 1.08 0.01 1.54 0.00 -0.01 -0.50 121.76 124.46 2weu s ALA 255 Ca -0.07 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.91 2weu s ALA 255 Cb -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 2weu s ALA 255 CO -0.00 0.10 -0.08 -0.51 0.00 0.00 0.00 175.76 175.27 2weu s LEU 256 N -1.87 2.07 -0.28 0.00 1.43 0.52 -0.84 118.68 119.71 2weu s LEU 256 Ca -0.02 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 2weu s LEU 256 Cb -0.09 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 2weu s LEU 256 CO 0.02 0.03 0.27 -0.13 0.23 0.00 0.00 176.35 176.76 2weu s ARG 257 N -0.52 3.98 -0.32 1.70 0.52 -1.26 -0.95 118.95 122.09 2weu s ARG 257 Ca 0.00 -0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 2weu s ARG 257 Cb -0.05 -3.66 0.09 0.00 0.52 0.00 0.00 34.95 31.86 2weu s ARG 257 CO 0.00 -0.22 0.02 0.08 0.02 0.00 0.00 175.30 175.19 2weu s VAL 258 N 1.89 2.27 0.47 3.52 1.01 0.38 -4.89 120.40 125.05 2weu s VAL 258 Ca 0.10 -2.19 -0.23 0.00 0.00 0.00 0.00 61.98 59.66 2weu s VAL 258 Cb -0.16 -2.61 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 2weu s VAL 258 CO 0.11 -0.47 1.19 -2.65 0.00 0.00 0.00 175.10 173.27 2weu n PRO 259 N 4.30 1.62 -3.42 2.72 -0.02 -1.26 -1.13 135.00 137.81 2weu n PRO 259 Ca -0.00 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 2weu n PRO 259 Cb 0.42 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 2weu n PRO 259 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2weu s ARG 260 N -2.38 4.12 -0.04 -0.52 3.52 -0.92 -4.82 118.95 117.91 2weu s ARG 260 Ca 0.66 0.10 -0.24 0.00 -0.13 0.00 0.00 55.73 56.12 2weu s ARG 260 Cb -0.49 -3.57 -0.18 0.00 -1.56 0.00 0.00 34.95 29.15 2weu s ARG 260 CO 0.55 -0.09 1.05 1.49 -0.81 0.00 0.00 175.30 177.49 2weu h GLU 261 N 7.59 -0.14 -4.78 5.12 4.57 -1.92 -3.43 114.58 121.59 2weu h GLU 261 Ca -0.35 0.01 -0.68 0.00 -1.18 0.00 0.00 59.36 57.16 2weu h GLU 261 Cb 1.16 0.03 -0.24 0.00 -0.16 0.00 0.00 28.75 29.54 2weu h GLU 261 CO 0.69 0.34 -0.59 -0.80 -1.18 0.00 0.00 179.01 177.48 2weu s ASN 262 N -5.57 5.36 0.35 1.04 -0.87 -1.26 -4.99 114.94 109.00 2weu s ASN 262 Ca -0.15 -0.64 0.11 0.00 -1.57 0.00 0.00 52.86 50.62 2weu s ASN 262 Cb 0.01 -1.95 0.88 0.00 -0.02 0.00 0.00 41.25 40.18 2weu s ASN 262 CO 0.57 -0.20 1.81 0.44 -2.57 0.00 0.00 177.10 177.15 2weu h ASP 263 N 8.30 0.63 0.47 -1.22 3.32 -2.01 -1.98 116.42 123.93 2weu h ASP 263 Ca -0.31 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2weu h ASP 263 Cb 1.13 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2weu h ASP 263 CO 0.61 0.24 0.00 -0.62 -1.72 0.00 0.00 179.24 177.75 2weu n GLU 264 N -4.64 0.28 0.00 3.56 -0.58 -1.26 -2.28 120.64 115.71 2weu n GLU 264 Ca 0.22 0.08 0.13 0.00 -0.42 0.00 0.00 57.16 57.16 2weu n GLU 264 Cb 0.63 -1.50 0.68 0.00 -0.57 0.00 0.00 31.44 30.67 2weu n GLU 264 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2weu n ASP 265 N -1.31 0.00 -4.65 1.62 8.00 -0.74 -4.85 116.55 114.61 2weu n ASP 265 Ca 0.10 -0.16 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 2weu n ASP 265 Cb 0.19 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 2weu n ASP 265 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2weu s MET 266 N -2.52 3.98 -0.03 -1.24 1.75 -0.97 -4.98 119.30 115.30 2weu s MET 266 Ca 0.26 2.37 -0.19 0.00 -1.25 0.00 0.00 55.69 56.88 2weu s MET 266 Cb 0.18 -4.15 -0.05 0.00 2.84 0.00 0.00 34.83 33.65 2weu s MET 266 CO 0.39 -1.13 0.55 1.03 -0.65 0.00 0.00 175.02 175.21 2weu s ARG 267 N 4.67 4.27 -0.08 4.11 0.52 -1.26 -4.59 118.95 126.59 2weu s ARG 267 Ca 0.86 0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 56.68 2weu s ARG 267 Cb -0.38 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 2weu s ARG 267 CO 0.37 0.36 2.37 -0.35 0.02 0.00 0.00 175.30 178.07 2weu n PRO 268 N 2.82 1.42 -3.50 3.54 -0.04 -1.26 -4.69 135.00 133.29 2weu n PRO 268 Ca -0.08 -0.61 -0.10 0.00 -0.04 0.00 0.00 63.50 62.67 2weu n PRO 268 Cb 0.51 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 2weu n PRO 268 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2weu s TYR 269 N -0.23 -0.40 0.23 0.54 -0.85 -1.22 0.20 117.35 115.63 2weu s TYR 269 Ca 0.22 0.32 -0.18 0.00 -0.52 0.00 0.00 57.07 56.91 2weu s TYR 269 Cb 0.13 0.53 -0.08 0.00 0.38 0.00 0.00 41.96 42.91 2weu s TYR 269 CO -0.01 -0.58 0.71 0.99 -1.52 0.00 0.00 175.55 175.13 2weu s THR 270 N -2.95 4.61 -0.07 -3.49 2.01 -0.72 -4.50 115.64 110.53 2weu s THR 270 Ca 0.03 1.18 0.02 0.00 0.31 0.00 0.00 61.69 63.23 2weu s THR 270 Cb -0.01 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 2weu s THR 270 CO -0.08 0.14 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.98 2weu s THR 271 N -1.60 3.24 -0.31 -0.82 2.01 -0.72 -0.38 115.64 117.06 2weu s THR 271 Ca 0.45 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.83 2weu s THR 271 Cb -0.15 -2.30 0.09 0.00 0.01 0.00 0.00 72.50 70.14 2weu s THR 271 CO 0.20 0.58 0.00 0.00 -0.69 0.00 0.00 174.62 174.71 2weu s ALA 272 N -0.49 2.65 -0.27 7.40 0.00 0.63 -1.42 121.76 130.26 2weu s ALA 272 Ca 0.06 -2.18 -0.09 0.00 0.00 0.00 0.00 51.96 49.75 2weu s ALA 272 Cb -0.12 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2weu s ALA 272 CO 0.02 -1.52 0.11 0.99 0.00 0.00 0.00 175.76 175.36 2weu s THR 273 N 1.04 4.54 0.31 0.00 2.01 -0.42 -1.92 115.64 121.20 2weu s THR 273 Ca 0.04 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 2weu s THR 273 Cb -0.19 -3.20 -0.11 0.00 0.01 0.00 0.00 72.50 69.01 2weu s THR 273 CO -0.08 0.23 1.47 0.00 -0.69 0.00 0.00 174.62 175.55 2weu s ALA 274 N 1.63 3.62 0.11 7.40 0.00 -0.34 -0.08 121.76 134.11 2weu s ALA 274 Ca 0.06 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2weu s ALA 274 Cb -0.16 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.38 2weu s ALA 274 CO 0.05 -0.88 0.00 -1.33 0.00 0.00 0.00 175.76 173.61 2weu n MET 275 N 1.51 1.69 0.10 0.00 2.81 0.16 -4.85 117.12 118.54 2weu n MET 275 Ca 0.04 -0.83 0.00 0.00 -1.81 0.00 0.00 57.70 55.10 2weu n MET 275 Cb 0.39 0.23 0.31 0.00 -0.71 0.00 0.00 33.22 33.44 2weu n MET 275 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2weu h SER 276 N 0.28 0.25 -0.20 7.83 4.64 -2.00 -3.33 113.55 121.01 2weu h SER 276 Ca -0.09 -0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 60.95 2weu h SER 276 Cb 0.29 -0.07 -0.35 0.00 -0.31 0.00 0.00 62.40 61.97 2weu h SER 276 CO 0.16 0.51 -0.93 0.00 -0.87 0.00 0.00 176.83 175.70 2weu n ALA 277 N -2.48 2.64 0.00 5.18 0.00 -1.26 -4.52 120.51 120.07 2weu n ALA 277 Ca -0.01 -2.25 0.00 0.00 0.00 0.00 0.00 53.44 51.18 2weu n ALA 277 Cb 0.37 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2weu n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2weu n GLY 278 N -0.30 -0.35 3.31 0.00 0.00 -1.25 -3.22 105.19 103.37 2weu n GLY 278 Ca 0.01 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 2weu n GLY 278 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2weu s TRP 279 N -3.79 -0.19 -0.10 1.61 1.48 -0.59 -0.66 118.94 116.70 2weu s TRP 279 Ca 0.00 -0.10 0.04 0.00 -1.06 0.00 0.00 56.10 54.98 2weu s TRP 279 Cb 0.00 0.23 0.00 0.00 -1.16 0.00 0.00 33.47 32.54 2weu s TRP 279 CO 0.00 -0.67 -0.22 1.41 -4.06 0.00 0.00 176.95 173.40 2weu s MET 280 N -3.62 2.88 0.23 3.25 1.75 0.89 -0.53 119.30 124.15 2weu s MET 280 Ca 0.02 -0.82 -0.12 0.00 -1.25 0.00 0.00 55.69 53.51 2weu s MET 280 Cb 0.02 -2.19 -0.08 0.00 2.84 0.00 0.00 34.83 35.42 2weu s MET 280 CO -0.11 0.16 0.60 1.67 -0.65 0.00 0.00 175.02 176.69 2weu s TRP 281 N 0.39 3.46 -0.20 4.11 -2.14 0.16 -1.29 118.94 123.43 2weu s TRP 281 Ca -0.18 1.02 -0.00 0.00 2.66 0.00 0.00 56.10 59.60 2weu s TRP 281 Cb -0.18 -2.37 0.05 0.00 -3.10 0.00 0.00 33.47 27.88 2weu s TRP 281 CO 0.08 0.26 -0.04 0.99 -2.66 0.00 0.00 176.95 175.59 2weu s THR 282 N -1.77 1.17 -0.35 0.66 2.01 -0.51 -1.39 115.64 115.46 2weu s THR 282 Ca 0.47 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 2weu s THR 282 Cb -0.12 -1.43 0.06 0.00 0.01 0.00 0.00 72.50 71.02 2weu s THR 282 CO 0.20 -0.01 0.10 -0.63 -0.69 0.00 0.00 174.62 173.59 2weu s ILE 283 N 1.58 3.41 -0.34 1.82 1.01 0.23 -1.76 121.20 127.15 2weu s ILE 283 Ca -0.02 -1.45 -0.29 0.00 0.00 0.00 0.00 60.65 58.89 2weu s ILE 283 Cb -0.17 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.27 2weu s ILE 283 CO -0.07 -0.29 1.18 -2.84 0.00 0.00 0.00 174.94 172.92 2weu s PRO 284 N 1.29 3.94 0.47 2.79 0.02 -1.26 -1.26 135.00 140.98 2weu s PRO 284 Ca -0.00 1.05 0.09 0.00 0.02 0.00 0.00 61.00 62.15 2weu s PRO 284 Cb -0.21 -3.83 0.03 0.00 0.02 0.00 0.00 34.50 30.52 2weu s PRO 284 CO -0.00 -1.08 0.63 -0.51 -0.33 0.00 0.00 177.00 175.71 2weu s LEU 285 N 4.10 3.49 -0.26 -5.54 1.43 0.64 -4.38 118.68 118.15 2weu s LEU 285 Ca 0.50 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 2weu s LEU 285 Cb -0.13 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 2weu s LEU 285 CO 0.21 -0.94 1.60 0.12 0.23 0.00 0.00 176.35 177.57 2weu s PHE 286 N -2.45 2.14 0.00 0.29 2.19 0.50 -3.13 117.98 117.53 2weu s PHE 286 Ca 0.57 0.60 0.00 0.00 0.33 0.00 0.00 56.93 58.43 2weu s PHE 286 Cb -0.09 -4.03 0.00 0.00 -1.31 0.00 0.00 43.02 37.60 2weu s PHE 286 CO 0.35 -2.74 0.00 1.63 1.83 0.00 0.00 175.22 176.29 2weu n LYS 287 N 7.78 0.00 -3.43 10.12 4.76 -1.26 -4.88 118.16 131.25 2weu n LYS 287 Ca 0.19 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 2weu n LYS 287 Cb 0.46 -1.06 -0.02 0.00 -1.84 0.00 0.00 35.03 32.56 2weu n LYS 287 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2weu s ARG 288 N -0.41 1.26 -0.04 1.97 1.70 -1.18 -2.17 118.95 120.07 2weu s ARG 288 Ca 0.00 -0.42 -0.03 0.00 -0.47 0.00 0.00 55.73 54.81 2weu s ARG 288 Cb 0.00 0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2weu s ARG 288 CO 0.00 -0.54 0.13 -0.51 -1.08 0.00 0.00 175.30 173.30 2weu s ASP 289 N -2.64 6.11 -0.20 -2.89 1.01 -0.28 -0.26 116.67 117.52 2weu s ASP 289 Ca 0.00 0.31 -0.10 0.00 0.71 0.00 0.00 52.55 53.47 2weu s ASP 289 Cb -0.01 -1.88 -0.05 0.00 1.01 0.00 0.00 42.92 41.99 2weu s ASP 289 CO -0.11 0.31 0.15 -0.83 0.21 0.00 0.00 175.17 174.90 2weu s GLY 290 N -1.56 2.05 -0.01 0.21 0.00 -0.39 -0.47 107.32 107.15 2weu s GLY 290 Ca 0.22 -0.68 0.08 0.00 0.00 0.00 0.00 44.72 44.34 2weu s GLY 290 CO 0.12 0.20 -0.25 -1.31 0.00 0.00 0.00 173.10 171.86 2weu s ASN 291 N 0.44 3.13 -0.13 1.64 0.01 -0.12 -0.60 114.94 119.30 2weu s ASN 291 Ca 0.09 -0.48 -0.07 0.00 -0.71 0.00 0.00 52.86 51.69 2weu s ASN 291 Cb -0.11 -0.36 0.05 0.00 0.41 0.00 0.00 41.25 41.24 2weu s ASN 291 CO -0.01 0.31 0.32 -0.83 -1.51 0.00 0.00 177.10 175.38 2weu s GLY 292 N -0.74 -0.22 -0.35 0.66 0.00 -0.48 -0.36 107.32 105.84 2weu s GLY 292 Ca 0.10 1.23 -0.14 0.00 0.00 0.00 0.00 44.72 45.91 2weu s GLY 292 CO -0.00 1.44 0.28 -0.47 0.00 0.00 0.00 173.10 174.35 2weu s TYR 293 N 1.32 3.22 -0.22 1.90 6.14 0.34 0.36 117.35 130.43 2weu s TYR 293 Ca -0.09 -0.20 -0.12 0.00 0.64 0.00 0.00 57.07 57.30 2weu s TYR 293 Cb -0.10 -2.55 -0.05 0.00 0.42 0.00 0.00 41.96 39.69 2weu s TYR 293 CO -0.10 -0.41 0.23 0.08 0.64 0.00 0.00 175.55 175.99 2weu s VAL 294 N 1.81 5.32 0.26 3.14 1.01 0.31 -1.11 120.40 131.13 2weu s VAL 294 Ca 0.08 0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 2weu s VAL 294 Cb -0.17 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2weu s VAL 294 CO 0.11 0.34 0.45 -0.72 0.00 0.00 0.00 175.10 175.27 2weu s TYR 295 N 0.97 0.51 -0.22 5.22 -0.85 -0.40 -1.54 117.35 121.04 2weu s TYR 295 Ca 0.12 -0.85 -0.06 0.00 -0.52 0.00 0.00 57.07 55.75 2weu s TYR 295 Cb -0.13 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.28 2weu s TYR 295 CO 0.04 -0.98 0.04 0.45 -1.52 0.00 0.00 175.55 173.58 2weu s SER 296 N -3.06 5.13 0.00 -0.18 0.15 -1.20 -1.19 113.70 113.36 2weu s SER 296 Ca 0.25 -0.14 0.17 0.00 0.70 0.00 0.00 55.95 56.92 2weu s SER 296 Cb 0.00 -1.89 0.83 0.00 -1.71 0.00 0.00 66.02 63.25 2weu s SER 296 CO 0.11 0.05 1.50 -0.90 1.20 0.00 0.00 173.24 175.19 2weu n ASP 297 N 4.36 0.00 0.10 5.45 5.68 -1.26 -1.50 116.55 129.39 2weu n ASP 297 Ca -0.17 0.10 0.05 0.00 -0.50 0.00 0.00 54.79 54.28 2weu n ASP 297 Cb 0.52 -0.31 0.50 0.00 -1.14 0.00 0.00 41.12 40.69 2weu n ASP 297 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2weu h GLU 298 N 0.00 0.33 0.00 0.11 5.08 -1.94 -3.34 114.58 114.82 2weu h GLU 298 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2weu h GLU 298 Cb 0.17 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2weu h GLU 298 CO 0.00 0.23 -1.02 1.19 -1.00 0.00 0.00 179.01 178.41 2weu n PHE 299 N -4.49 0.00 -3.63 4.33 3.72 -0.56 -5.02 117.46 111.81 2weu n PHE 299 Ca 0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2weu n PHE 299 Cb 0.08 -0.12 -0.07 0.00 -0.94 0.00 0.00 39.48 38.42 2weu n PHE 299 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 2weu s ILE 300 N -2.29 0.01 0.53 4.37 2.07 -1.10 -4.98 121.20 119.81 2weu s ILE 300 Ca -0.01 -0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.08 2weu s ILE 300 Cb 0.06 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.78 2weu s ILE 300 CO 0.35 -0.05 0.83 -0.94 -1.91 0.00 0.00 174.94 173.22 2weu s SER 301 N -0.65 5.92 0.30 4.50 1.04 -1.26 -4.07 113.70 119.48 2weu s SER 301 Ca -0.07 0.79 0.03 0.00 0.48 0.00 0.00 55.95 57.18 2weu s SER 301 Cb -0.03 -1.95 0.61 0.00 0.10 0.00 0.00 66.02 64.75 2weu s SER 301 CO 0.05 -0.82 1.86 -0.65 0.98 0.00 0.00 173.24 174.67 2weu h PRO 302 N 0.04 0.91 -0.57 4.02 0.11 -1.98 0.55 132.00 135.09 2weu h PRO 302 Ca -0.46 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 2weu h PRO 302 Cb 1.23 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2weu h PRO 302 CO 0.61 0.60 0.07 0.93 -0.21 0.00 0.00 178.00 180.00 2weu h GLU 303 N 0.94 0.96 -0.29 1.05 3.07 -1.99 -0.50 114.58 117.81 2weu h GLU 303 Ca 0.46 -0.27 -0.14 0.00 -0.50 0.00 0.00 59.36 58.92 2weu h GLU 303 Cb 0.47 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2weu h GLU 303 CO -0.23 0.93 -0.36 0.93 -1.40 0.00 0.00 179.01 178.89 2weu h GLU 304 N 0.85 0.76 -0.64 2.33 5.08 -1.79 -1.71 114.58 119.45 2weu h GLU 304 Ca 0.17 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 2weu h GLU 304 Cb 0.45 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2weu h GLU 304 CO 0.02 1.05 0.28 0.00 -1.00 0.00 0.00 179.01 179.36 2weu h ALA 305 N 0.70 0.83 -0.67 3.43 0.00 -0.77 -0.26 119.26 122.53 2weu h ALA 305 Ca 0.04 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2weu h ALA 305 Cb 0.94 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2weu h ALA 305 CO 0.09 0.42 0.44 1.49 0.00 0.00 0.00 179.25 181.69 2weu h GLU 306 N 0.89 0.88 -0.48 0.00 4.81 -0.97 -0.88 114.58 118.83 2weu h GLU 306 Ca 0.22 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2weu h GLU 306 Cb 0.17 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2weu h GLU 306 CO -0.02 0.58 0.29 -0.09 -0.73 0.00 0.00 179.01 179.04 2weu h ARG 307 N 0.90 0.64 -0.44 1.92 2.43 -0.74 -0.87 114.38 118.23 2weu h ARG 307 Ca 0.24 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2weu h ARG 307 Cb -0.10 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 2weu h ARG 307 CO -0.05 0.46 0.10 1.49 -1.51 0.00 0.00 179.97 180.46 2weu h GLU 308 N 0.64 0.71 0.01 0.20 4.81 -0.84 -1.19 114.58 118.91 2weu h GLU 308 Ca 0.17 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2weu h GLU 308 Cb -0.02 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2weu h GLU 308 CO -0.03 0.72 -0.12 1.25 -0.73 0.00 0.00 179.01 180.10 2weu h LEU 309 N 0.59 -0.33 -0.55 1.64 5.85 -0.97 -2.23 115.31 119.31 2weu h LEU 309 Ca 0.14 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2weu h LEU 309 Cb 0.33 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2weu h LEU 309 CO 0.00 -0.17 0.36 0.03 -0.34 0.00 0.00 178.44 178.32 2weu h ARG 310 N -0.20 0.70 -0.48 1.25 3.08 -1.09 -1.41 114.38 116.23 2weu h ARG 310 Ca 0.04 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.09 2weu h ARG 310 Cb 0.25 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2weu h ARG 310 CO -0.11 0.47 0.32 0.77 -1.07 0.00 0.00 179.97 180.35 2weu h SER 311 N 0.72 0.40 0.19 7.04 0.02 -1.08 0.58 113.55 121.42 2weu h SER 311 Ca 0.21 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.85 2weu h SER 311 Cb -0.05 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.42 2weu h SER 311 CO -0.06 0.27 -1.43 0.74 -1.14 0.00 0.00 176.83 175.21 2weu h THR 312 N 0.46 1.16 0.00 -2.27 2.02 -0.73 -3.40 112.91 110.16 2weu h THR 312 Ca 0.20 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.83 2weu h THR 312 Cb 0.22 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 2weu h THR 312 CO -0.05 0.79 -0.80 1.33 0.37 0.00 0.00 175.52 177.15 2weu n VAL 313 N -3.80 0.00 -2.89 3.16 0.24 -0.60 -4.87 118.33 109.56 2weu n VAL 313 Ca -0.21 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 2weu n VAL 313 Cb 1.00 0.61 0.05 0.00 -1.47 0.00 0.00 33.84 34.03 2weu n VAL 313 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2weu n ALA 314 N -1.42 0.38 -1.78 2.33 0.00 0.08 -5.06 120.51 115.05 2weu n ALA 314 Ca -0.00 -2.19 -0.41 0.00 0.00 0.00 0.00 53.44 50.83 2weu n ALA 314 Cb 0.04 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 2weu n ALA 314 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2weu s PRO 315 N -0.79 4.14 0.00 0.00 0.04 -0.52 -2.41 135.00 135.47 2weu s PRO 315 Ca 0.29 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.86 2weu s PRO 315 Cb 0.32 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2weu s PRO 315 CO -0.06 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.82 2weu n GLY 316 N 1.74 0.58 2.75 0.56 0.00 -1.26 -4.94 105.19 104.62 2weu n GLY 316 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2weu n GLY 316 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2weu n ARG 317 N -2.16 4.24 0.01 1.61 5.12 -1.01 -4.74 116.66 119.73 2weu n ARG 317 Ca 0.00 -4.30 0.04 0.00 -1.93 0.00 0.00 57.85 51.66 2weu n ARG 317 Cb 0.05 -2.37 0.16 0.00 -1.16 0.00 0.00 32.46 29.14 2weu n ARG 317 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2weu n ASP 318 N -0.26 0.02 -0.01 0.55 8.00 -1.26 -0.90 116.55 122.69 2weu n ASP 318 Ca 0.47 0.51 0.01 0.00 0.71 0.00 0.00 54.79 56.50 2weu n ASP 318 Cb 0.29 -0.51 0.34 0.00 -0.02 0.00 0.00 41.12 41.22 2weu n ASP 318 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2weu h ASP 319 N 0.00 0.50 -3.12 -2.24 2.03 -1.99 -3.42 116.42 108.17 2weu h ASP 319 Ca 0.00 -0.06 -0.55 0.00 -0.73 0.00 0.00 57.03 55.69 2weu h ASP 319 Cb 0.12 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.47 2weu h ASP 319 CO 0.00 0.48 0.66 -0.76 -1.03 0.00 0.00 179.24 178.59 2weu s LEU 320 N -9.25 4.28 0.01 0.15 1.43 -0.08 -5.01 118.68 110.22 2weu s LEU 320 Ca -0.08 1.79 -0.22 0.00 -1.03 0.00 0.00 54.13 54.59 2weu s LEU 320 Cb 0.16 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 2weu s LEU 320 CO 0.75 -0.55 0.67 -0.70 0.23 0.00 0.00 176.35 176.75 2weu s GLU 321 N 2.07 4.39 0.24 1.70 2.12 -1.26 -5.03 118.70 122.93 2weu s GLU 321 Ca 0.55 0.87 -0.11 0.00 0.36 0.00 0.00 54.97 56.64 2weu s GLU 321 Cb -0.24 -3.36 -0.08 0.00 0.26 0.00 0.00 34.13 30.72 2weu s GLU 321 CO 0.22 0.32 0.59 0.00 -0.54 0.00 0.00 175.26 175.85 2weu s ALA 322 N -0.09 3.52 -0.09 6.30 0.00 -1.26 -4.48 121.76 125.65 2weu s ALA 322 Ca 0.34 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.14 2weu s ALA 322 Cb -0.19 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.42 2weu s ALA 322 CO 0.19 0.46 -0.18 1.21 0.00 0.00 0.00 175.76 177.45 2weu s ASN 323 N -2.26 2.52 -0.07 0.00 3.84 -0.02 -4.94 114.94 114.01 2weu s ASN 323 Ca 0.48 -0.45 -0.01 0.00 0.21 0.00 0.00 52.86 53.08 2weu s ASN 323 Cb -0.11 -1.15 -0.03 0.00 -0.55 0.00 0.00 41.25 39.40 2weu s ASN 323 CO 0.20 0.08 -0.00 -1.00 -2.79 0.00 0.00 177.10 173.60 2weu s HIS 324 N 0.60 3.14 0.01 0.43 3.76 -1.26 -0.83 115.29 121.14 2weu s HIS 324 Ca -0.14 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 2weu s HIS 324 Cb -0.17 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 2weu s HIS 324 CO 0.05 0.46 -0.03 0.42 -0.85 0.00 0.00 174.74 174.79 2weu s ILE 325 N -0.91 0.13 -0.05 0.60 -1.09 -0.37 -5.01 121.20 114.49 2weu s ILE 325 Ca 0.14 -0.58 0.04 0.00 -2.23 0.00 0.00 60.65 58.02 2weu s ILE 325 Cb -0.11 -0.21 -0.02 0.00 -1.58 0.00 0.00 42.46 40.53 2weu s ILE 325 CO 0.04 -0.28 -0.15 -1.10 -1.23 0.00 0.00 174.94 172.21 2weu s GLN 326 N -0.90 2.52 -0.02 2.79 -0.21 -1.26 -1.66 119.66 120.93 2weu s GLN 326 Ca -0.09 -0.72 0.04 0.00 0.02 0.00 0.00 55.36 54.61 2weu s GLN 326 Cb -0.06 -2.36 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 2weu s GLN 326 CO -0.00 0.59 -0.11 -1.64 -2.12 0.00 0.00 175.29 172.01 2weu s MET 327 N -0.65 2.49 -0.48 2.91 -1.94 0.14 -4.97 119.30 116.81 2weu s MET 327 Ca 0.10 -0.72 -0.16 0.00 -1.71 0.00 0.00 55.69 53.20 2weu s MET 327 Cb -0.11 -2.43 0.08 0.00 2.01 0.00 0.00 34.83 34.38 2weu s MET 327 CO 0.01 0.61 0.42 0.50 -0.01 0.00 0.00 175.02 176.55 2weu s ARG 328 N -1.11 2.99 -0.23 2.03 3.52 -1.26 -4.84 118.95 120.05 2weu s ARG 328 Ca 0.14 -1.38 -0.13 0.00 -0.13 0.00 0.00 55.73 54.23 2weu s ARG 328 Cb -0.11 -4.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.08 2weu s ARG 328 CO 0.04 -1.08 0.27 0.42 -0.81 0.00 0.00 175.30 174.14 2weu s ILE 329 N 1.69 5.28 -5.00 4.11 -1.09 -1.26 -4.31 121.20 120.62 2weu s ILE 329 Ca 0.04 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 2weu s ILE 329 Cb -0.25 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2weu s ILE 329 CO 0.06 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 2weu n GLY 330 N 4.22 0.89 3.15 6.18 0.00 -0.21 -1.78 105.19 117.64 2weu n GLY 330 Ca -0.12 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 2weu n GLY 330 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2weu s ARG 331 N -2.00 0.66 0.51 1.61 1.70 -0.59 -1.14 118.95 119.70 2weu s ARG 331 Ca 0.00 -0.72 -0.22 0.00 -0.47 0.00 0.00 55.73 54.31 2weu s ARG 331 Cb 0.00 0.27 -0.06 0.00 -0.57 0.00 0.00 34.95 34.59 2weu s ARG 331 CO 0.00 -0.18 1.30 -0.80 -1.08 0.00 0.00 175.30 174.54 2weu s ASN 332 N -2.18 5.64 0.22 -2.89 0.01 -0.29 0.01 114.94 115.45 2weu s ASN 332 Ca -0.04 2.62 -0.09 0.00 -0.71 0.00 0.00 52.86 54.65 2weu s ASN 332 Cb -0.00 -2.63 0.25 0.00 0.41 0.00 0.00 41.25 39.28 2weu s ASN 332 CO -0.05 -1.31 1.82 -0.33 -1.51 0.00 0.00 177.10 175.73 2weu h GLU 333 N 1.75 0.75 -5.05 -0.60 4.39 -1.32 -3.42 114.58 111.08 2weu h GLU 333 Ca -0.50 -0.04 -0.47 0.00 0.34 0.00 0.00 59.36 58.69 2weu h GLU 333 Cb 1.28 -0.17 -0.30 0.00 -0.10 0.00 0.00 28.75 29.46 2weu h GLU 333 CO 0.59 0.49 -0.80 1.03 -1.16 0.00 0.00 179.01 179.16 2weu s ARG 334 N -6.09 1.11 -0.00 2.33 0.52 -1.26 -4.93 118.95 110.63 2weu s ARG 334 Ca -0.13 -0.44 0.21 0.00 -0.52 0.00 0.00 55.73 54.85 2weu s ARG 334 Cb 0.16 -1.05 -0.17 0.00 0.52 0.00 0.00 34.95 34.41 2weu s ARG 334 CO 0.77 0.24 0.94 0.25 0.02 0.00 0.00 175.30 177.51 2weu n THR 335 N 2.92 0.00 -4.02 0.02 -2.24 -1.26 -4.77 114.28 104.92 2weu n THR 335 Ca -0.15 -0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.31 2weu n THR 335 Cb 0.55 0.93 -0.15 0.00 -2.10 0.00 0.00 70.33 69.56 2weu n THR 335 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2weu s TRP 336 N -3.01 2.90 -0.12 4.78 -0.11 -1.26 -0.22 118.94 121.90 2weu s TRP 336 Ca 0.08 -2.06 0.03 0.00 1.22 0.00 0.00 56.10 55.37 2weu s TRP 336 Cb 0.16 -1.79 0.01 0.00 -1.50 0.00 0.00 33.47 30.35 2weu s TRP 336 CO 0.86 -0.83 -0.21 0.42 -4.62 0.00 0.00 176.95 172.57 2weu s ILE 337 N 1.23 1.90 0.00 5.86 1.01 0.02 -4.98 121.20 126.24 2weu s ILE 337 Ca -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2weu s ILE 337 Cb -0.19 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.60 2weu s ILE 337 CO -0.06 0.52 0.00 0.59 0.00 0.00 0.00 174.94 175.99 2weu n ASN 338 N 3.97 0.00 -1.57 3.58 3.02 -1.26 -1.15 115.26 121.86 2weu n ASN 338 Ca -0.20 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.22 2weu n ASN 338 Cb 0.52 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.85 2weu n ASN 338 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2weu n ASN 339 N 8.63 3.52 -3.98 6.41 6.94 -1.26 -4.96 115.26 130.55 2weu n ASN 339 Ca 0.00 -3.77 -0.25 0.00 -0.02 0.00 0.00 54.58 50.55 2weu n ASN 339 Cb 0.00 -0.67 -0.17 0.00 -2.36 0.00 0.00 39.78 36.58 2weu n ASN 339 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2weu s VAL 341 N 0.96 1.98 0.03 0.00 1.01 -0.25 -0.80 120.40 123.32 2weu s VAL 341 Ca -0.09 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.73 2weu s VAL 341 Cb -0.15 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 2weu s VAL 341 CO 0.00 0.54 0.61 0.00 0.00 0.00 0.00 175.10 176.25 2weu s ALA 342 N 0.58 3.50 -0.04 5.51 0.00 0.69 -0.69 121.76 131.31 2weu s ALA 342 Ca -0.13 0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2weu s ALA 342 Cb -0.17 -2.75 0.02 0.00 0.00 0.00 0.00 23.12 20.23 2weu s ALA 342 CO 0.04 0.23 -0.05 0.08 0.00 0.00 0.00 175.76 176.06 2weu s VAL 343 N -0.51 0.58 0.00 0.00 1.01 -0.58 -4.68 120.40 116.21 2weu s VAL 343 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2weu s VAL 343 Cb -0.19 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2weu s VAL 343 CO 0.19 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2weu n GLY 344 N 3.96 0.12 0.31 4.51 0.00 -1.26 -4.33 105.19 108.49 2weu n GLY 344 Ca -0.25 -1.37 0.14 0.00 0.00 0.00 0.00 46.02 44.54 2weu n GLY 344 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2weu h LEU 345 N 0.00 0.00 -1.92 0.99 4.07 -1.87 0.23 115.31 116.80 2weu h LEU 345 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2weu h LEU 345 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 2weu h LEU 345 CO 0.00 0.00 -0.09 0.77 -1.08 0.00 0.00 178.44 178.04 2weu h SER 346 N 0.00 0.00 0.04 -0.43 4.64 -1.70 -3.25 113.55 112.85 2weu h SER 346 Ca 0.06 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.16 2weu h SER 346 Cb 0.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2weu h SER 346 CO -0.00 0.09 -1.20 0.00 -0.87 0.00 0.00 176.83 174.86 2weu h ALA 347 N 1.91 0.22 -1.58 5.18 0.00 -0.82 -3.45 119.26 120.72 2weu h ALA 347 Ca -0.00 -1.10 0.19 0.00 0.00 0.00 0.00 54.91 54.00 2weu h ALA 347 Cb 0.18 0.57 -0.20 0.00 0.00 0.00 0.00 17.79 18.34 2weu h ALA 347 CO 0.01 0.70 0.72 0.00 0.00 0.00 0.00 179.25 180.68 2weu s ALA 348 N -2.39 -2.00 -0.25 0.00 0.00 -0.78 -1.14 121.76 115.20 2weu s ALA 348 Ca -0.25 1.53 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 2weu s ALA 348 Cb 0.04 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.88 2weu s ALA 348 CO 0.66 -0.50 0.66 0.12 0.00 0.00 0.00 175.76 176.71 2weu s PHE 349 N -2.07 -0.77 0.21 0.00 5.36 -0.29 -3.96 117.98 116.47 2weu s PHE 349 Ca 0.06 1.81 0.05 0.00 -0.96 0.00 0.00 56.93 57.90 2weu s PHE 349 Cb -0.01 0.29 -0.05 0.00 -0.34 0.00 0.00 43.02 42.92 2weu s PHE 349 CO -0.05 -0.37 -0.07 0.14 -1.46 0.00 0.00 175.22 173.41 2weu s VAL 350 N 0.52 1.38 0.56 3.12 -7.23 -1.26 -1.04 120.40 116.44 2weu s VAL 350 Ca -0.01 -2.10 -0.21 0.00 -1.81 0.00 0.00 61.98 57.84 2weu s VAL 350 Cb -0.05 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 2weu s VAL 350 CO -0.02 -0.49 1.27 -1.84 -0.31 0.00 0.00 175.10 173.71 2weu n GLU 351 N -0.39 1.50 -0.21 4.82 0.28 -1.26 -4.83 120.64 120.55 2weu n GLU 351 Ca -0.07 0.55 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 2weu n GLU 351 Cb 0.62 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 31.02 2weu n GLU 351 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2weu n PRO 352 N -1.01 0.75 0.22 3.44 -0.04 -1.26 -4.41 135.00 132.68 2weu n PRO 352 Ca 0.11 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 2weu n PRO 352 Cb 0.45 -1.13 0.51 0.00 -0.04 0.00 0.00 33.50 33.29 2weu n PRO 352 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2weu h LEU 353 N 2.37 0.00 -2.95 1.53 5.85 -2.03 -2.54 115.31 117.53 2weu h LEU 353 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2weu h LEU 353 Cb 0.75 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 2weu h LEU 353 CO 0.00 0.24 -0.57 -0.62 -0.34 0.00 0.00 178.44 177.15 2weu n GLU 354 N -4.00 1.10 -3.64 1.25 -0.58 -1.26 -5.00 120.64 108.50 2weu n GLU 354 Ca -0.02 -2.80 -0.22 0.00 -0.42 0.00 0.00 57.16 53.70 2weu n GLU 354 Cb 0.31 -1.17 0.04 0.00 -0.57 0.00 0.00 31.44 30.06 2weu n GLU 354 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2weu n SER 355 N -0.72 -2.19 -0.08 1.62 7.64 -0.96 -4.91 113.62 114.02 2weu n SER 355 Ca 0.15 -0.83 0.10 0.00 1.01 0.00 0.00 58.87 59.30 2weu n SER 355 Cb 0.79 -4.13 -0.08 0.00 -1.01 0.00 0.00 64.21 59.78 2weu n SER 355 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2weu n THR 356 N -4.16 0.00 0.02 0.44 -2.24 -1.26 -4.33 114.28 102.75 2weu n THR 356 Ca -0.25 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 2weu n THR 356 Cb 0.66 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.83 2weu n THR 356 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2weu h GLY 357 N 4.98 0.05 1.27 3.38 0.00 -1.90 -0.15 103.07 110.69 2weu h GLY 357 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 2weu h GLY 357 CO 0.00 0.02 -0.08 -2.22 0.00 0.00 0.00 176.54 174.26 2weu h ILE 358 N 0.04 1.26 -0.14 2.60 1.08 -1.84 -2.47 117.51 118.03 2weu h ILE 358 Ca 0.01 -1.16 0.03 0.00 -0.39 0.00 0.00 64.86 63.35 2weu h ILE 358 Cb 0.01 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 2weu h ILE 358 CO -0.00 0.41 -0.05 0.15 -0.69 0.00 0.00 178.15 177.96 2weu h PHE 359 N 0.79 -0.12 -0.98 1.37 3.57 -1.74 0.22 116.94 120.05 2weu h PHE 359 Ca 0.14 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.75 2weu h PHE 359 Cb 0.58 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 2weu h PHE 359 CO 0.03 -0.09 0.63 0.74 -2.23 0.00 0.00 178.31 177.39 2weu h PHE 360 N -0.03 1.13 -0.04 0.41 0.04 -0.78 0.39 116.94 118.06 2weu h PHE 360 Ca 0.07 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 2weu h PHE 360 Cb 0.14 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 2weu h PHE 360 CO -0.19 0.51 -0.03 0.82 -0.60 0.00 0.00 178.31 178.82 2weu h ILE 361 N 1.04 1.35 0.02 -0.55 2.04 -0.97 -2.38 117.51 118.05 2weu h ILE 361 Ca 0.46 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2weu h ILE 361 Cb 0.37 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2weu h ILE 361 CO -0.22 0.30 -0.01 -0.61 0.00 0.00 0.00 178.15 177.61 2weu h GLN 362 N -0.32 -0.02 -0.53 2.37 4.15 0.15 -1.40 115.11 119.51 2weu h GLN 362 Ca 0.01 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.45 2weu h GLN 362 Cb 0.49 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 2weu h GLN 362 CO 0.01 0.00 0.32 1.25 -1.93 0.00 0.00 178.83 178.48 2weu h HIS 363 N -0.04 0.60 -0.97 3.99 2.76 -1.03 0.47 115.15 120.93 2weu h HIS 363 Ca -0.00 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2weu h HIS 363 Cb 0.04 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 2weu h HIS 363 CO -0.07 0.35 0.65 0.00 -1.30 0.00 0.00 177.93 177.55 2weu h ALA 364 N 1.23 1.31 -0.07 5.26 0.00 -1.20 -0.09 119.26 125.69 2weu h ALA 364 Ca 0.21 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2weu h ALA 364 Cb 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2weu h ALA 364 CO -0.09 0.64 -0.35 0.82 0.00 0.00 0.00 179.25 180.27 2weu h ILE 365 N 1.32 1.42 -0.69 0.00 2.04 -0.70 -1.71 117.51 119.18 2weu h ILE 365 Ca 0.36 -1.76 0.03 0.00 1.00 0.00 0.00 64.86 64.49 2weu h ILE 365 Cb -0.14 2.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 2weu h ILE 365 CO -0.08 0.51 0.43 -0.33 0.00 0.00 0.00 178.15 178.68 2weu h GLU 366 N -0.12 0.82 0.00 2.37 5.08 -0.78 -1.57 114.58 120.38 2weu h GLU 366 Ca -0.02 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2weu h GLU 366 Cb 1.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2weu h GLU 366 CO 0.07 0.55 -0.27 1.96 -1.00 0.00 0.00 179.01 180.32 2weu h GLN 367 N 0.85 0.00 -0.35 2.33 1.08 -1.06 -1.96 115.11 116.00 2weu h GLN 367 Ca 0.27 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.40 2weu h GLN 367 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2weu h GLN 367 CO -0.10 0.27 -0.07 1.25 -0.95 0.00 0.00 178.83 179.23 2weu h LEU 368 N 0.00 0.68 -0.09 1.46 5.85 -0.38 0.89 115.31 123.71 2weu h LEU 368 Ca -0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2weu h LEU 368 Cb 0.83 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2weu h LEU 368 CO 0.04 0.88 0.04 0.58 -0.34 0.00 0.00 178.44 179.63 2weu h VAL 369 N 0.47 1.00 -0.72 1.05 2.07 -1.15 0.12 116.25 119.10 2weu h VAL 369 Ca 0.09 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.63 2weu h VAL 369 Cb 0.57 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2weu h VAL 369 CO 0.03 0.02 0.47 0.11 0.02 0.00 0.00 177.57 178.22 2weu h LYS 370 N 0.10 0.75 -0.54 1.57 1.57 -1.19 -2.05 116.57 116.77 2weu h LYS 370 Ca 0.03 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 2weu h LYS 370 Cb 0.00 -0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.06 2weu h LYS 370 CO -0.02 0.50 0.13 0.72 -0.57 0.00 0.00 179.45 180.21 2weu n HIS 371 N -4.47 1.82 -1.73 -1.35 8.25 0.29 -5.03 115.22 113.00 2weu n HIS 371 Ca 0.10 -1.17 -0.42 0.00 -0.26 0.00 0.00 57.72 55.97 2weu n HIS 371 Cb 0.20 -0.55 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 2weu n HIS 371 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2weu n PHE 372 N -0.38 2.77 -2.52 4.41 7.35 0.39 -4.91 117.46 124.57 2weu n PHE 372 Ca 0.34 0.24 -0.35 0.00 -0.76 0.00 0.00 57.45 56.92 2weu n PHE 372 Cb 1.20 -2.60 -0.03 0.00 0.35 0.00 0.00 39.48 38.39 2weu n PHE 372 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2weu s PRO 373 N -0.22 3.90 0.64 -7.13 0.04 -1.26 -5.07 135.00 125.90 2weu s PRO 373 Ca 0.66 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 2weu s PRO 373 Cb -0.51 -2.25 0.13 0.00 0.04 0.00 0.00 34.50 31.91 2weu s PRO 373 CO 0.46 -0.36 0.87 0.41 0.04 0.00 0.00 177.00 178.42 2weu n GLY 374 N -0.02 -0.03 0.26 0.56 0.00 -1.26 -4.41 105.19 100.29 2weu n GLY 374 Ca 0.08 -1.91 0.09 0.00 0.00 0.00 0.00 46.02 44.28 2weu n GLY 374 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2weu h GLU 375 N 0.00 0.00 -4.84 1.61 4.11 -1.95 -3.32 114.58 110.19 2weu h GLU 375 Ca -0.29 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.45 2weu h GLU 375 Cb 0.95 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.01 2weu h GLU 375 CO 0.27 0.06 -0.10 1.03 0.07 0.00 0.00 179.01 180.34 2weu s ARG 376 N -4.80 3.10 0.43 1.06 0.52 -1.26 -4.99 118.95 113.01 2weu s ARG 376 Ca -0.05 -0.90 -0.24 0.00 -0.52 0.00 0.00 55.73 54.03 2weu s ARG 376 Cb 0.16 -4.05 -0.08 0.00 0.52 0.00 0.00 34.95 31.50 2weu s ARG 376 CO 0.65 -1.05 1.18 -1.58 0.02 0.00 0.00 175.30 174.51 2weu s TRP 377 N 2.30 2.95 -0.30 -0.53 0.52 -1.25 -5.00 118.94 117.62 2weu s TRP 377 Ca 0.13 1.53 0.02 0.00 0.02 0.00 0.00 56.10 57.80 2weu s TRP 377 Cb -0.19 -3.41 0.09 0.00 -1.15 0.00 0.00 33.47 28.81 2weu s TRP 377 CO 0.12 -1.47 0.04 0.34 0.02 0.00 0.00 176.95 175.99 2weu s ASP 378 N -1.22 4.33 0.48 2.95 -1.08 -1.26 -4.99 116.67 115.88 2weu s ASP 378 Ca 0.60 -1.75 0.14 0.00 -0.52 0.00 0.00 52.55 51.02 2weu s ASP 378 Cb -0.30 -1.29 1.12 0.00 -1.46 0.00 0.00 42.92 40.99 2weu s ASP 378 CO 0.37 -0.35 2.10 -0.65 0.52 0.00 0.00 175.17 177.16 2weu h PRO 379 N 7.84 0.12 -0.19 4.34 0.11 -1.99 -1.29 132.00 140.95 2weu h PRO 379 Ca -0.11 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.88 2weu h PRO 379 Cb 1.03 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2weu h PRO 379 CO 0.48 0.12 -0.33 0.28 -0.21 0.00 0.00 178.00 178.34 2weu h VAL 380 N 0.12 1.34 -0.35 3.15 2.07 -1.99 0.25 116.25 120.85 2weu h VAL 380 Ca 0.03 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 66.01 2weu h VAL 380 Cb 0.06 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2weu h VAL 380 CO -0.00 0.48 0.21 0.25 0.02 0.00 0.00 177.57 178.53 2weu h LEU 381 N 0.21 0.36 -0.81 2.57 5.85 -1.89 -2.23 115.31 119.36 2weu h LEU 381 Ca 0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2weu h LEU 381 Cb 0.92 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2weu h LEU 381 CO 0.07 0.26 0.46 0.40 -0.34 0.00 0.00 178.44 179.30 2weu h ILE 382 N 0.44 1.23 -0.90 4.05 2.04 -1.17 -1.47 117.51 121.73 2weu h ILE 382 Ca 0.14 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.48 2weu h ILE 382 Cb -0.02 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.14 2weu h ILE 382 CO -0.05 0.25 0.58 -1.28 0.00 0.00 0.00 178.15 177.65 2weu h SER 383 N 1.12 0.96 -0.37 1.72 0.87 -0.74 -0.61 113.55 116.49 2weu h SER 383 Ca 0.29 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.72 2weu h SER 383 Cb -0.00 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2weu h SER 383 CO -0.05 0.65 -0.21 0.00 -0.53 0.00 0.00 176.83 176.69 2weu h ALA 384 N 1.38 0.82 -0.01 6.23 0.00 -0.78 -1.35 119.26 125.53 2weu h ALA 384 Ca 0.36 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2weu h ALA 384 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2weu h ALA 384 CO -0.13 0.65 0.01 -0.92 0.00 0.00 0.00 179.25 178.86 2weu h TYR 385 N 0.75 0.02 -0.71 0.00 3.20 -0.66 -2.10 116.97 117.47 2weu h TYR 385 Ca 0.10 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2weu h TYR 385 Cb 0.74 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 2weu h TYR 385 CO 0.04 0.02 0.45 -0.91 -1.64 0.00 0.00 178.16 176.12 2weu h ASN 386 N 0.01 0.75 -0.33 -2.11 2.35 -0.84 -1.80 115.58 113.60 2weu h ASN 386 Ca 0.00 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2weu h ASN 386 Cb 0.00 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2weu h ASN 386 CO -0.00 0.53 0.16 -0.08 -1.65 0.00 0.00 177.43 176.39 2weu h GLU 387 N 0.89 0.33 -0.75 0.81 4.81 -1.16 -1.72 114.58 117.79 2weu h GLU 387 Ca 0.28 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 2weu h GLU 387 Cb -0.02 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2weu h GLU 387 CO -0.09 0.22 0.37 0.00 -0.73 0.00 0.00 179.01 178.77 2weu h ARG 388 N 0.34 1.06 -0.12 1.92 3.08 -0.98 -1.23 114.38 118.44 2weu h ARG 388 Ca 0.14 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 2weu h ARG 388 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2weu h ARG 388 CO -0.10 0.81 -0.58 0.52 -1.07 0.00 0.00 179.97 179.55 2weu h MET 389 N 1.06 0.38 -0.10 0.04 2.86 -1.09 -1.27 114.93 116.81 2weu h MET 389 Ca 0.26 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2weu h MET 389 Cb 0.10 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2weu h MET 389 CO -0.03 0.86 -0.14 0.00 1.06 0.00 0.00 176.91 178.65 2weu h ALA 390 N 1.09 0.15 -0.73 6.32 0.00 -1.07 -2.86 119.26 122.16 2weu h ALA 390 Ca -0.00 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.65 2weu h ALA 390 Cb 1.10 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2weu h ALA 390 CO 0.10 0.04 0.40 0.45 0.00 0.00 0.00 179.25 180.24 2weu h HIS 391 N -0.16 0.73 -0.21 0.00 -0.00 -1.15 -0.32 115.15 114.04 2weu h HIS 391 Ca 0.01 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.46 2weu h HIS 391 Cb 0.70 -0.22 -0.07 0.00 -0.00 0.00 0.00 27.41 27.83 2weu h HIS 391 CO 0.10 0.31 -0.24 1.98 -0.00 0.00 0.00 177.93 180.08 2weu h MET 392 N 0.70 -0.25 -0.06 2.45 -1.53 -1.12 -1.10 114.93 114.03 2weu h MET 392 Ca 0.34 0.02 -0.22 0.00 -3.44 0.00 0.00 59.70 56.40 2weu h MET 392 Cb 0.29 0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.40 2weu h MET 392 CO -0.22 -0.17 -0.86 0.28 0.14 0.00 0.00 176.91 176.08 2weu h VAL 393 N -0.26 1.35 -0.36 -5.77 2.07 -1.21 -2.85 116.25 109.21 2weu h VAL 393 Ca 0.13 -2.23 -0.11 0.00 0.82 0.00 0.00 66.70 65.31 2weu h VAL 393 Cb 0.45 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2weu h VAL 393 CO -0.36 0.68 -0.22 0.44 0.02 0.00 0.00 177.57 178.13 2weu h ASP 394 N 0.34 0.71 -0.36 0.57 3.32 -0.87 0.55 116.42 120.68 2weu h ASP 394 Ca -0.07 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 2weu h ASP 394 Cb 1.48 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 2weu h ASP 394 CO 0.16 0.91 0.17 1.23 -1.72 0.00 0.00 179.24 179.99 2weu h GLY 395 N 0.98 0.56 1.03 2.75 0.00 -1.23 -1.80 103.07 105.37 2weu h GLY 395 Ca 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2weu h GLY 395 CO 0.05 0.27 0.31 -2.08 0.00 0.00 0.00 176.54 175.09 2weu h VAL 396 N 0.45 1.25 -0.13 4.60 2.07 -1.17 -2.11 116.25 121.20 2weu h VAL 396 Ca 0.12 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.90 2weu h VAL 396 Cb 0.13 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 2weu h VAL 396 CO -0.01 0.32 -0.17 0.50 0.02 0.00 0.00 177.57 178.22 2weu h LYS 397 N 1.08 -0.21 -0.29 1.57 3.64 -0.72 0.62 116.57 122.26 2weu h LYS 397 Ca 0.25 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2weu h LYS 397 Cb 0.20 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2weu h LYS 397 CO -0.02 -0.14 0.03 0.93 -2.27 0.00 0.00 179.45 177.98 2weu h GLU 398 N -0.22 0.13 -0.62 1.90 5.08 -1.19 -1.44 114.58 118.22 2weu h GLU 398 Ca 0.10 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2weu h GLU 398 Cb 0.36 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2weu h GLU 398 CO -0.26 0.08 0.29 0.35 -1.00 0.00 0.00 179.01 178.48 2weu h PHE 399 N 0.13 0.53 -0.52 4.33 3.57 -0.99 -2.11 116.94 121.89 2weu h PHE 399 Ca 0.14 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 2weu h PHE 399 Cb 0.16 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2weu h PHE 399 CO -0.19 0.21 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.93 2weu h LEU 400 N 0.53 0.98 -1.14 0.59 3.38 -0.46 -2.79 115.31 116.40 2weu h LEU 400 Ca 0.29 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2weu h LEU 400 Cb 0.27 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2weu h LEU 400 CO -0.23 1.11 0.58 0.58 0.09 0.00 0.00 178.44 180.57 2weu h VAL 401 N 0.85 1.17 -0.48 1.22 2.07 -1.05 -0.03 116.25 119.99 2weu h VAL 401 Ca 0.13 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.36 2weu h VAL 401 Cb 0.66 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2weu h VAL 401 CO 0.05 0.21 0.33 0.25 0.02 0.00 0.00 177.57 178.43 2weu h LEU 402 N 1.14 0.23 -0.14 2.57 5.85 -1.12 0.16 115.31 124.00 2weu h LEU 402 Ca 0.34 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 2weu h LEU 402 Cb -0.03 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2weu h LEU 402 CO -0.09 0.14 0.07 0.45 -0.34 0.00 0.00 178.44 178.67 2weu h HIS 403 N 0.26 0.19 -0.23 1.25 3.86 -0.84 -0.12 115.15 119.52 2weu h HIS 403 Ca 0.22 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 2weu h HIS 403 Cb 0.55 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2weu h HIS 403 CO -0.00 0.21 -0.29 1.88 0.86 0.00 0.00 177.93 180.58 2weu h TYR 404 N 0.12 0.53 0.00 2.45 0.05 -1.22 -1.80 116.97 117.09 2weu h TYR 404 Ca 0.05 -0.12 -0.17 0.00 0.05 0.00 0.00 58.73 58.54 2weu h TYR 404 Cb 0.08 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2weu h TYR 404 CO -0.04 0.71 -0.81 0.87 -1.05 0.00 0.00 178.16 177.85 2weu h LYS 405 N 0.40 0.00 0.02 4.88 1.79 -0.85 -3.26 116.57 119.56 2weu h LYS 405 Ca 0.05 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.31 2weu h LYS 405 Cb 0.72 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 2weu h LYS 405 CO 0.06 0.81 -0.99 0.78 -1.08 0.00 0.00 179.45 179.02 2weu h GLY 406 N 2.66 0.09 -5.17 3.86 0.00 -0.88 -3.46 103.07 100.16 2weu h GLY 406 Ca -0.01 -0.20 -0.62 0.00 0.00 0.00 0.00 47.33 46.51 2weu h GLY 406 CO 0.11 0.17 0.68 0.00 0.00 0.00 0.00 176.54 177.49 2weu n ALA 407 N -2.40 0.48 0.44 3.60 0.00 -0.69 -4.23 120.51 117.70 2weu n ALA 407 Ca -0.02 0.47 0.11 0.00 0.00 0.00 0.00 53.44 54.00 2weu n ALA 407 Cb 0.91 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 2weu n ALA 407 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2weu n GLN 408 N 3.15 0.37 -2.09 0.00 1.13 -1.09 -4.93 117.38 113.92 2weu n GLN 408 Ca 0.18 -0.03 -0.40 0.00 -1.94 0.00 0.00 57.00 54.80 2weu n GLN 408 Cb 0.25 -1.59 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 2weu n GLN 408 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2weu s ARG 409 N -3.26 4.20 -0.01 -1.09 1.70 -1.08 -4.93 118.95 114.47 2weu s ARG 409 Ca 0.01 2.19 0.23 0.00 -0.47 0.00 0.00 55.73 57.69 2weu s ARG 409 Cb 0.14 -2.94 0.38 0.00 -0.57 0.00 0.00 34.95 31.96 2weu s ARG 409 CO 0.83 -0.31 1.15 0.39 -1.08 0.00 0.00 175.30 176.28 2weu n GLU 410 N 0.52 0.07 0.21 3.89 1.02 -1.26 -4.70 120.64 120.38 2weu n GLU 410 Ca 0.01 -1.95 0.12 0.00 -0.02 0.00 0.00 57.16 55.33 2weu n GLU 410 Cb 0.42 -0.13 0.17 0.00 -0.02 0.00 0.00 31.44 31.89 2weu n GLU 410 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2weu h ASP 411 N 0.89 0.00 -3.06 1.62 2.03 -1.91 -3.40 116.42 112.58 2weu h ASP 411 Ca -0.19 -0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.62 2weu h ASP 411 Cb 1.80 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 40.17 2weu h ASP 411 CO 0.08 0.00 -0.64 0.42 -1.03 0.00 0.00 179.24 178.08 2weu s THR 412 N -3.21 1.41 0.31 1.15 -4.23 -1.26 -5.02 115.64 104.78 2weu s THR 412 Ca 0.07 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 2weu s THR 412 Cb 0.06 -2.64 0.29 0.00 1.34 0.00 0.00 72.50 71.54 2weu s THR 412 CO 0.67 -0.14 1.89 -0.65 -0.54 0.00 0.00 174.62 175.85 2weu h PRO 413 N 2.18 0.93 -0.19 3.99 0.11 -1.89 -0.97 132.00 136.16 2weu h PRO 413 Ca -0.40 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2weu h PRO 413 Cb 1.24 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2weu h PRO 413 CO 0.69 0.62 0.06 -0.92 -0.21 0.00 0.00 178.00 178.24 2weu h TYR 414 N 0.96 0.12 -0.01 0.65 3.20 -1.94 -0.18 116.97 119.76 2weu h TYR 414 Ca 0.42 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.16 2weu h TYR 414 Cb 0.35 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2weu h TYR 414 CO -0.00 0.06 -0.68 -1.49 -1.64 0.00 0.00 178.16 174.41 2weu h TRP 415 N 0.15 0.08 -0.39 -3.82 4.06 -1.72 -0.41 115.95 113.91 2weu h TRP 415 Ca 0.08 -0.04 -0.05 0.00 2.06 0.00 0.00 58.89 60.94 2weu h TRP 415 Cb 0.05 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 2weu h TRP 415 CO -0.12 0.72 0.03 0.87 -3.56 0.00 0.00 178.44 176.38 2weu h LYS 416 N 0.04 0.66 -0.28 0.49 1.57 -1.08 -3.01 116.57 114.96 2weu h LYS 416 Ca -0.01 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 2weu h LYS 416 Cb 1.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2weu h LYS 416 CO 0.09 0.73 -0.07 0.00 -0.57 0.00 0.00 179.45 179.63 2weu h ALA 417 N 0.90 1.36 -0.95 3.86 0.00 -0.64 -2.72 119.26 121.07 2weu h ALA 417 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2weu h ALA 417 Cb 0.41 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2weu h ALA 417 CO 0.01 0.44 0.62 0.00 0.00 0.00 0.00 179.25 180.33 2weu h ALA 418 N 1.50 1.36 -0.89 0.00 0.00 -0.97 -0.75 119.26 119.51 2weu h ALA 418 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2weu h ALA 418 Cb 0.40 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2weu h ALA 418 CO 0.02 0.58 0.58 0.87 0.00 0.00 0.00 179.25 181.30 2weu h LYS 419 N 1.24 1.11 -0.01 0.00 1.79 -1.36 -3.25 116.57 116.09 2weu h LYS 419 Ca 0.36 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2weu h LYS 419 Cb -0.08 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.32 2weu h LYS 419 CO -0.09 0.74 -0.31 0.25 -1.08 0.00 0.00 179.45 178.96 2weu n THR 420 N -4.50 0.00 -1.67 -0.16 -2.24 -1.06 -5.01 114.28 99.64 2weu n THR 420 Ca 0.11 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 61.16 2weu n THR 420 Cb 0.06 1.23 0.06 0.00 -2.10 0.00 0.00 70.33 69.58 2weu n THR 420 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2weu n ARG 421 N 0.08 1.04 -1.33 -0.78 0.63 -0.31 -4.97 116.66 111.01 2weu n ARG 421 Ca 0.08 0.41 -0.36 0.00 -0.92 0.00 0.00 57.85 57.05 2weu n ARG 421 Cb 0.38 -2.35 0.07 0.00 0.45 0.00 0.00 32.46 31.01 2weu n ARG 421 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2weu n ALA 422 N -1.76 -1.01 -2.48 5.13 0.00 -1.26 -5.05 120.51 114.07 2weu n ALA 422 Ca 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 2weu n ALA 422 Cb 0.47 -1.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.90 2weu n ALA 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2weu s MET 423 N -2.84 0.70 0.76 0.00 0.23 -1.26 -4.48 119.30 112.41 2weu s MET 423 Ca 0.69 -0.96 -0.15 0.00 -1.03 0.00 0.00 55.69 54.23 2weu s MET 423 Cb -0.36 0.27 0.01 0.00 -1.53 0.00 0.00 34.83 33.22 2weu s MET 423 CO 0.55 -0.19 0.80 -2.30 -2.03 0.00 0.00 175.02 171.85 2weu n PRO 424 N 0.24 0.30 -0.05 3.16 -0.02 -1.26 -4.91 135.00 132.47 2weu n PRO 424 Ca -0.16 0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 2weu n PRO 424 Cb 0.61 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 2weu n PRO 424 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2weu h ASP 425 N -0.53 -0.16 0.88 2.55 3.32 -2.02 -2.75 116.42 117.71 2weu h ASP 425 Ca -0.46 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2weu h ASP 425 Cb 1.33 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2weu h ASP 425 CO 0.44 -0.05 0.00 1.23 -1.72 0.00 0.00 179.24 179.14 2weu h GLY 426 N 0.02 0.00 2.00 2.75 0.00 -2.03 -3.26 103.07 102.55 2weu h GLY 426 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2weu h GLY 426 CO -0.20 0.00 -0.05 -2.00 0.00 0.00 0.00 176.54 174.29 2weu h LEU 427 N 0.00 0.00 0.20 3.11 5.85 -1.84 -3.18 115.31 119.44 2weu h LEU 427 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2weu h LEU 427 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2weu h LEU 427 CO 0.00 0.05 -0.09 0.00 -0.34 0.00 0.00 178.44 178.06 2weu h ALA 428 N 1.95 -0.26 -0.60 1.25 0.00 -1.73 -0.59 119.26 119.28 2weu h ALA 428 Ca -0.00 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2weu h ALA 428 Cb 0.89 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2weu h ALA 428 CO 0.01 -0.63 0.26 -0.09 0.00 0.00 0.00 179.25 178.79 2weu h ARG 429 N -0.29 0.46 -0.63 0.00 9.65 -1.81 0.12 114.38 121.88 2weu h ARG 429 Ca -0.03 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.76 2weu h ARG 429 Cb 0.22 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 2weu h ARG 429 CO 0.04 0.31 0.12 0.87 2.80 0.00 0.00 179.97 184.11 2weu h LYS 430 N 0.48 1.02 -0.36 0.20 1.57 -1.49 0.27 116.57 118.26 2weu h LYS 430 Ca 0.29 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.66 2weu h LYS 430 Cb 0.30 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2weu h LYS 430 CO -0.25 0.93 -0.41 -0.07 -0.57 0.00 0.00 179.45 179.08 2weu h LEU 431 N 0.96 0.96 -0.02 2.94 3.38 -0.86 -1.06 115.31 121.61 2weu h LEU 431 Ca 0.20 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2weu h LEU 431 Cb 0.40 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2weu h LEU 431 CO 0.01 1.24 -0.07 -0.08 0.09 0.00 0.00 178.44 179.63 2weu h GLU 432 N 0.73 -0.12 -0.85 1.13 4.81 -0.55 -2.60 114.58 117.13 2weu h GLU 432 Ca 0.05 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2weu h GLU 432 Cb 1.00 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2weu h GLU 432 CO 0.10 -0.08 0.48 -0.07 -0.73 0.00 0.00 179.01 178.71 2weu h LEU 433 N -0.12 1.04 -1.26 1.64 3.38 -0.34 -2.84 115.31 116.81 2weu h LEU 433 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2weu h LEU 433 Cb 0.17 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2weu h LEU 433 CO -0.09 0.82 -0.05 0.28 0.09 0.00 0.00 178.44 179.49 2weu h SER 434 N 1.18 0.00 0.88 -0.43 0.02 -0.88 0.15 113.55 114.46 2weu h SER 434 Ca 0.30 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.18 2weu h SER 434 Cb -0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2weu h SER 434 CO -0.05 0.05 -0.34 0.00 -1.14 0.00 0.00 176.83 175.35 2weu h ALA 435 N 1.95 1.00 0.01 3.77 0.00 -1.21 -3.22 119.26 121.56 2weu h ALA 435 Ca -0.00 -0.31 -0.38 0.00 0.00 0.00 0.00 54.91 54.22 2weu h ALA 435 Cb 0.61 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2weu h ALA 435 CO 0.01 0.42 -2.12 0.45 0.00 0.00 0.00 179.25 178.01 2weu n SER 436 N -3.50 1.95 -3.81 0.00 2.88 -0.13 -1.03 113.62 109.99 2weu n SER 436 Ca -0.00 0.28 -0.07 0.00 -1.33 0.00 0.00 58.87 57.75 2weu n SER 436 Cb 0.49 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 63.12 2weu n SER 436 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2weu s HIS 437 N -2.47 -0.22 0.41 0.66 0.00 0.35 -4.45 115.29 109.58 2weu s HIS 437 Ca -0.34 -0.20 -0.25 0.00 -3.00 0.00 0.00 55.06 51.27 2weu s HIS 437 Cb 0.11 0.69 -0.08 0.00 -4.00 0.00 0.00 32.58 29.29 2weu s HIS 437 CO 0.56 -1.15 1.19 -0.51 -1.00 0.00 0.00 174.74 173.82 2weu s LEU 438 N -2.90 4.16 0.74 5.38 1.43 -1.26 -3.67 118.68 122.55 2weu s LEU 438 Ca 0.10 2.38 -0.15 0.00 -1.03 0.00 0.00 54.13 55.43 2weu s LEU 438 Cb -0.05 -4.05 0.04 0.00 0.03 0.00 0.00 46.19 42.16 2weu s LEU 438 CO 0.05 -0.75 1.21 -0.76 0.23 0.00 0.00 176.35 176.32 2weu s LEU 439 N -2.60 3.31 0.00 1.79 1.43 -1.26 -4.97 118.68 116.37 2weu s LEU 439 Ca 0.58 2.37 0.01 0.00 -1.03 0.00 0.00 54.13 56.07 2weu s LEU 439 Cb -0.31 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.31 2weu s LEU 439 CO 0.39 -2.31 0.09 -0.90 0.23 0.00 0.00 176.35 173.85 2weu n ASP 440 N -2.75 -0.23 -0.27 2.29 5.68 -1.26 -4.85 116.55 115.16 2weu n ASP 440 Ca 0.14 -1.53 0.22 0.00 -0.50 0.00 0.00 54.79 53.11 2weu n ASP 440 Cb 0.50 0.48 0.54 0.00 -1.14 0.00 0.00 41.12 41.51 2weu n ASP 440 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2weu h GLU 441 N 0.00 0.33 0.00 0.11 3.07 -1.96 0.15 114.58 116.28 2weu h GLU 441 Ca -0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2weu h GLU 441 Cb 0.30 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2weu h GLU 441 CO 0.09 0.22 -0.40 1.04 -1.40 0.00 0.00 179.01 178.56 2weu n GLN 442 N -4.50 0.14 0.00 2.33 1.13 -1.26 -4.23 117.38 110.98 2weu n GLN 442 Ca 0.21 0.06 0.01 0.00 -1.94 0.00 0.00 57.00 55.33 2weu n GLN 442 Cb 0.81 -1.60 -0.00 0.00 0.11 0.00 0.00 30.24 29.55 2weu n GLN 442 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2weu n THR 443 N -1.81 0.00 -1.47 5.09 -2.24 -0.05 -4.96 114.28 108.83 2weu n THR 443 Ca 0.05 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 61.05 2weu n THR 443 Cb 0.39 1.01 0.20 0.00 -2.10 0.00 0.00 70.33 69.82 2weu n THR 443 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2weu s ILE 444 N -0.89 1.81 0.01 2.28 -4.36 -0.64 -4.86 121.20 114.54 2weu s ILE 444 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 60.65 60.05 2weu s ILE 444 Cb 0.01 -2.72 -0.13 0.00 1.25 0.00 0.00 42.46 40.87 2weu s ILE 444 CO 0.04 0.00 1.72 0.00 0.24 0.00 0.00 174.94 176.94 2weu n TYR 445 N -4.24 2.24 0.91 1.37 9.36 -1.26 -4.85 117.16 120.70 2weu n TYR 445 Ca 0.13 0.17 0.13 0.00 3.32 0.00 0.00 57.90 61.65 2weu n TYR 445 Cb 0.59 -2.59 0.50 0.00 -0.63 0.00 0.00 39.34 37.21 2weu n TYR 445 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2weu n PRO 446 N 5.06 0.06 -3.95 2.98 -0.04 -1.26 -4.85 135.00 133.01 2weu n PRO 446 Ca 0.20 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.49 2weu n PRO 446 Cb 0.28 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 2weu n PRO 446 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2weu s TYR 447 N -3.03 2.98 0.09 0.54 2.02 -1.26 -5.04 117.35 113.66 2weu s TYR 447 Ca 0.12 -0.22 -0.31 0.00 -0.37 0.00 0.00 57.07 56.29 2weu s TYR 447 Cb 0.17 -1.62 -0.09 0.00 -0.40 0.00 0.00 41.96 40.02 2weu s TYR 447 CO 0.58 0.33 1.75 -0.47 -1.57 0.00 0.00 175.55 176.17 2weu s TYR 448 N -2.24 2.25 -0.00 2.71 5.04 -1.26 -4.82 117.35 119.03 2weu s TYR 448 Ca 0.37 0.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.14 2weu s TYR 448 Cb -0.07 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.17 2weu s TYR 448 CO 0.26 -4.40 0.85 -2.39 -1.34 0.00 0.00 175.55 168.53 2weu n HIS 449 N 5.71 0.00 -0.29 4.97 1.44 -1.26 -3.45 115.22 122.34 2weu n HIS 449 Ca 0.17 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 2weu n HIS 449 Cb 0.39 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.47 2weu n HIS 449 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2weu n GLY 450 N -0.02 1.45 3.18 -1.39 0.00 -1.26 -4.56 105.19 102.59 2weu n GLY 450 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2weu n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2weu s PHE 451 N -2.94 1.55 0.52 1.61 0.40 -1.26 -5.14 117.98 112.73 2weu s PHE 451 Ca 0.00 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.09 2weu s PHE 451 Cb 0.00 -0.97 0.05 0.00 0.51 0.00 0.00 43.02 42.61 2weu s PHE 451 CO 0.00 0.01 0.61 -1.21 0.70 0.00 0.00 175.22 175.33 2weu s GLU 452 N -0.68 2.40 0.22 0.44 2.02 -1.26 -5.02 118.70 116.82 2weu s GLU 452 Ca 0.06 -1.67 -0.12 0.00 0.02 0.00 0.00 54.97 53.27 2weu s GLU 452 Cb -0.07 -2.49 0.29 0.00 0.10 0.00 0.00 34.13 31.95 2weu s GLU 452 CO 0.00 -0.63 1.64 1.15 0.02 0.00 0.00 175.26 177.44 2weu h THR 453 N 0.50 0.40 -0.67 3.63 2.02 -1.95 -1.84 112.91 115.00 2weu h THR 453 Ca -0.34 -0.02 0.12 0.00 0.77 0.00 0.00 66.41 66.94 2weu h THR 453 Cb 1.29 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 2weu h THR 453 CO 0.48 0.01 0.45 0.10 0.37 0.00 0.00 175.52 176.92 2weu h TYR 454 N 0.05 0.44 -0.44 3.16 -0.00 -1.96 -0.70 116.97 117.53 2weu h TYR 454 Ca 0.33 0.01 -0.08 0.00 0.00 0.00 0.00 58.73 58.99 2weu h TYR 454 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 36.73 37.10 2weu h TYR 454 CO -0.45 0.19 -0.05 0.77 -0.00 0.00 0.00 178.16 178.62 2weu h SER 455 N 0.40 0.80 -0.13 0.10 0.02 -1.72 0.76 113.55 113.78 2weu h SER 455 Ca 0.32 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2weu h SER 455 Cb 0.69 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2weu h SER 455 CO -0.09 0.95 0.00 -0.50 -1.14 0.00 0.00 176.83 176.05 2weu h TRP 456 N 0.65 0.25 -0.43 3.45 4.06 -1.15 -2.43 115.95 120.35 2weu h TRP 456 Ca 0.12 -0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.09 2weu h TRP 456 Cb 0.56 -0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 28.61 2weu h TRP 456 CO 0.04 0.45 0.13 0.82 -3.56 0.00 0.00 178.44 176.33 2weu h ILE 457 N -0.03 0.84 -0.61 1.49 2.04 -1.14 -1.83 117.51 118.27 2weu h ILE 457 Ca 0.04 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 2weu h ILE 457 Cb 0.35 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2weu h ILE 457 CO 0.01 0.05 0.25 0.74 0.00 0.00 0.00 178.15 179.19 2weu h THR 458 N 0.29 1.23 -0.24 -0.27 2.02 -0.78 0.50 112.91 115.67 2weu h THR 458 Ca 0.20 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 2weu h THR 458 Cb 0.21 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2weu h THR 458 CO -0.22 0.28 -0.10 0.24 0.37 0.00 0.00 175.52 176.08 2weu h MET 459 N 0.85 0.49 0.27 6.66 2.86 -1.31 0.17 114.93 124.92 2weu h MET 459 Ca 0.20 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2weu h MET 459 Cb 0.20 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2weu h MET 459 CO -0.02 0.75 -0.43 -0.91 1.06 0.00 0.00 176.91 177.37 2weu h ASN 460 N 0.21 -1.21 -0.62 1.22 2.35 -1.02 -0.98 115.58 115.53 2weu h ASN 460 Ca 0.05 0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 2weu h ASN 460 Cb 0.60 0.43 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 2weu h ASN 460 CO 0.03 -0.54 0.20 -0.07 -1.65 0.00 0.00 177.43 175.41 2weu h LEU 461 N -0.76 0.89 -0.45 1.61 3.38 -0.87 0.22 115.31 119.33 2weu h LEU 461 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2weu h LEU 461 Cb 0.73 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2weu h LEU 461 CO -0.16 0.86 0.29 1.23 0.09 0.00 0.00 178.44 180.75 2weu h GLY 462 N 0.88 0.63 1.41 0.83 0.00 -0.60 -3.16 103.07 103.08 2weu h GLY 462 Ca 0.20 -0.25 -0.28 0.00 0.00 0.00 0.00 47.33 47.01 2weu h GLY 462 CO -0.01 0.24 -1.18 1.41 0.00 0.00 0.00 176.54 177.01 2weu h LEU 463 N 0.60 0.68 0.00 3.11 3.38 -1.05 -3.48 115.31 118.56 2weu h LEU 463 Ca 0.16 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2weu h LEU 463 Cb -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2weu h LEU 463 CO -0.03 1.45 0.00 0.61 0.09 0.00 0.00 178.44 180.56 2weu n GLY 464 N 1.31 0.79 3.52 0.83 0.00 0.50 -4.38 105.19 107.76 2weu n GLY 464 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2weu n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2weu s ILE 465 N -1.17 4.13 0.01 -0.61 1.01 0.39 -4.98 121.20 119.98 2weu s ILE 465 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.86 2weu s ILE 465 Cb 0.00 -4.95 -0.03 0.00 0.01 0.00 0.00 42.46 37.49 2weu s ILE 465 CO 0.00 -1.79 -0.12 -0.69 0.00 0.00 0.00 174.94 172.34 2weu s VAL 466 N 4.41 3.26 0.62 2.92 1.01 -1.26 -3.95 120.40 127.41 2weu s VAL 466 Ca 0.40 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 2weu s VAL 466 Cb -0.03 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2weu s VAL 466 CO -0.06 0.41 1.23 -2.84 0.00 0.00 0.00 175.10 173.84 2weu s PRO 467 N -1.29 2.80 0.31 2.72 0.02 -1.21 -4.68 135.00 133.67 2weu s PRO 467 Ca 0.15 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.05 2weu s PRO 467 Cb -0.11 -1.90 0.53 0.00 0.02 0.00 0.00 34.50 33.04 2weu s PRO 467 CO 0.05 -1.35 1.96 1.49 -0.33 0.00 0.00 177.00 178.82 2weu h GLU 468 N 0.70 0.99 -4.38 5.54 4.57 -1.30 -3.45 114.58 117.25 2weu h GLU 468 Ca -0.50 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 57.43 2weu h GLU 468 Cb 1.31 -0.22 -0.14 0.00 -0.16 0.00 0.00 28.75 29.53 2weu h GLU 468 CO 0.54 0.65 -0.56 1.03 -1.18 0.00 0.00 179.01 179.49 2weu s ARG 469 N -5.86 1.11 0.88 1.92 0.52 -1.26 -5.16 118.95 111.10 2weu s ARG 469 Ca -0.11 -1.47 -0.12 0.00 -0.52 0.00 0.00 55.73 53.51 2weu s ARG 469 Cb 0.18 0.28 0.12 0.00 0.52 0.00 0.00 34.95 36.06 2weu s ARG 469 CO 0.79 -0.36 1.09 -1.25 0.02 0.00 0.00 175.30 175.59 2weu s PRO 470 N -4.08 1.41 0.11 3.54 0.04 -1.26 -4.90 135.00 129.86 2weu s PRO 470 Ca 0.29 0.78 -0.33 0.00 0.04 0.00 0.00 61.00 61.79 2weu s PRO 470 Cb 0.06 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.65 2weu s PRO 470 CO 0.06 -2.12 1.76 -2.13 0.04 0.00 0.00 177.00 174.61 2weu n ARG 471 N -3.80 2.52 0.27 4.56 0.63 -1.26 -4.86 116.66 114.72 2weu n ARG 471 Ca 0.07 0.91 0.13 0.00 -0.92 0.00 0.00 57.85 58.04 2weu n ARG 471 Cb 0.55 -2.76 0.78 0.00 0.45 0.00 0.00 32.46 31.49 2weu n ARG 471 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2weu h PRO 472 N 7.69 0.00 -0.77 -0.14 0.11 -1.98 -2.01 132.00 134.90 2weu h PRO 472 Ca -0.46 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.78 2weu h PRO 472 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2weu h PRO 472 CO 0.93 0.07 0.51 0.00 -0.21 0.00 0.00 178.00 179.30 2weu h ALA 473 N 1.93 1.94 0.00 -0.75 0.00 -2.01 -2.46 119.26 117.91 2weu h ALA 473 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2weu h ALA 473 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2weu h ALA 473 CO 0.01 -0.13 -0.18 -0.07 0.00 0.00 0.00 179.25 178.87 2weu h LEU 474 N 0.56 0.00 -1.62 0.00 3.38 -1.74 0.28 115.31 116.18 2weu h LEU 474 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2weu h LEU 474 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2weu h LEU 474 CO -0.14 0.18 0.00 -0.07 0.09 0.00 0.00 178.44 178.51 2weu h LEU 475 N 0.00 0.00 -1.63 1.67 3.38 -1.61 -2.24 115.31 114.88 2weu h LEU 475 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2weu h LEU 475 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2weu h LEU 475 CO 0.02 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.96 2weu n HIS 476 N -2.74 0.17 -4.38 1.13 8.25 0.08 -4.98 115.22 112.75 2weu n HIS 476 Ca -0.00 -0.08 -0.27 0.00 -0.26 0.00 0.00 57.72 57.11 2weu n HIS 476 Cb 0.19 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.19 2weu n HIS 476 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2weu s MET 477 N -1.83 1.69 -0.12 -0.41 -1.94 -0.84 -5.08 119.30 110.77 2weu s MET 477 Ca 0.34 -1.44 -0.29 0.00 -1.71 0.00 0.00 55.69 52.58 2weu s MET 477 Cb 0.20 -1.95 -0.03 0.00 2.01 0.00 0.00 34.83 35.06 2weu s MET 477 CO 0.30 0.41 1.42 0.34 -0.01 0.00 0.00 175.02 177.49 2weu s ASP 478 N -2.72 6.83 0.00 3.03 2.15 -1.26 -4.91 116.67 119.80 2weu s ASP 478 Ca 0.22 1.92 0.30 0.00 0.43 0.00 0.00 52.55 55.42 2weu s ASP 478 Cb -0.08 -2.54 1.46 0.00 -0.30 0.00 0.00 42.92 41.46 2weu s ASP 478 CO 0.12 -0.82 1.99 -0.81 -0.17 0.00 0.00 175.17 175.48 2weu n PRO 479 N 6.76 0.75 -0.09 4.34 -0.04 -1.26 -4.33 135.00 141.13 2weu n PRO 479 Ca 0.15 -0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 2weu n PRO 479 Cb 0.44 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2weu n PRO 479 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2weu h ALA 480 N 3.70 0.39 -0.57 0.55 0.00 -1.99 -1.01 119.26 120.33 2weu h ALA 480 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2weu h ALA 480 Cb 0.26 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2weu h ALA 480 CO 0.00 -0.12 0.23 -1.35 0.00 0.00 0.00 179.25 178.02 2weu h PRO 481 N 0.39 0.42 -0.26 0.00 0.11 -1.99 -0.13 132.00 130.53 2weu h PRO 481 Ca 0.11 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 2weu h PRO 481 Cb 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 2weu h PRO 481 CO -0.02 0.28 0.04 0.00 -0.21 0.00 0.00 178.00 178.09 2weu h ALA 482 N 1.37 0.35 -0.84 -0.75 0.00 -1.79 -1.60 119.26 116.01 2weu h ALA 482 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2weu h ALA 482 Cb 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2weu h ALA 482 CO -0.26 0.04 0.50 -0.07 0.00 0.00 0.00 179.25 179.46 2weu h LEU 483 N 0.25 1.01 -1.29 0.00 3.38 -0.98 0.03 115.31 117.71 2weu h LEU 483 Ca 0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2weu h LEU 483 Cb 0.33 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2weu h LEU 483 CO 0.01 0.78 0.24 0.00 0.09 0.00 0.00 178.44 179.56 2weu h ALA 484 N 1.39 1.45 -0.15 1.53 0.00 -0.86 -2.30 119.26 120.32 2weu h ALA 484 Ca 0.30 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2weu h ALA 484 Cb -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2weu h ALA 484 CO -0.06 0.43 -0.76 1.49 0.00 0.00 0.00 179.25 180.36 2weu h GLU 485 N 0.73 0.75 -0.79 0.00 4.57 -0.10 -0.80 114.58 118.93 2weu h GLU 485 Ca 0.18 -0.60 0.06 0.00 -1.18 0.00 0.00 59.36 57.82 2weu h GLU 485 Cb 0.09 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.75 2weu h GLU 485 CO -0.02 1.21 0.52 0.74 -1.18 0.00 0.00 179.01 180.28 2weu h PHE 486 N 0.51 0.87 -0.34 0.92 -1.00 -0.90 -0.45 116.94 116.55 2weu h PHE 486 Ca -0.05 0.02 -0.16 0.00 2.81 0.00 0.00 57.97 60.60 2weu h PHE 486 Cb 1.38 -0.29 -0.00 0.00 3.61 0.00 0.00 35.95 40.65 2weu h PHE 486 CO 0.08 0.46 -0.42 0.93 -1.61 0.00 0.00 178.31 177.76 2weu h GLU 487 N 0.86 0.88 -0.63 1.51 4.39 -1.13 -2.06 114.58 118.40 2weu h GLU 487 Ca 0.34 -0.49 0.06 0.00 0.34 0.00 0.00 59.36 59.60 2weu h GLU 487 Cb 0.23 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2weu h GLU 487 CO -0.12 1.14 0.34 0.00 -1.16 0.00 0.00 179.01 179.21 2weu h ARG 488 N 0.67 0.62 -0.42 2.33 3.08 -0.43 -1.52 114.38 118.70 2weu h ARG 488 Ca 0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2weu h ARG 488 Cb 1.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 2weu h ARG 488 CO 0.10 0.41 0.25 -0.07 -1.07 0.00 0.00 179.97 179.58 2weu h LEU 489 N 0.63 0.51 -0.31 3.04 3.38 -0.94 0.18 115.31 121.80 2weu h LEU 489 Ca 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2weu h LEU 489 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2weu h LEU 489 CO -0.18 0.42 0.14 -0.09 0.09 0.00 0.00 178.44 178.83 2weu h ARG 490 N 0.55 0.46 -0.26 1.13 2.43 -1.14 -1.01 114.38 116.54 2weu h ARG 490 Ca 0.15 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2weu h ARG 490 Cb 0.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2weu h ARG 490 CO -0.03 0.45 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.78 2weu h ARG 491 N 0.36 0.46 -0.73 0.20 2.43 -1.00 -0.92 114.38 115.18 2weu h ARG 491 Ca 0.11 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2weu h ARG 491 Cb 0.15 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 2weu h ARG 491 CO -0.01 0.63 0.49 0.93 -1.51 0.00 0.00 179.97 180.50 2weu h GLU 492 N 0.23 0.95 -0.31 0.20 5.08 -0.62 -1.49 114.58 118.62 2weu h GLU 492 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2weu h GLU 492 Cb 0.43 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2weu h GLU 492 CO 0.01 0.63 0.17 0.78 -1.00 0.00 0.00 179.01 179.60 2weu h GLY 493 N 0.98 0.47 0.78 -3.84 0.00 -0.78 -0.59 103.07 100.08 2weu h GLY 493 Ca 0.27 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.42 2weu h GLY 493 CO -0.06 0.21 0.23 -0.55 0.00 0.00 0.00 176.54 176.37 2weu h ASP 494 N 0.38 0.34 -0.19 0.19 3.32 -0.72 -2.17 116.42 117.58 2weu h ASP 494 Ca 0.11 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2weu h ASP 494 Cb 0.07 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2weu h ASP 494 CO -0.02 0.24 0.02 -0.33 -1.72 0.00 0.00 179.24 177.43 2weu h GLU 495 N 0.47 0.32 -0.69 3.56 5.08 -1.14 -2.88 114.58 119.29 2weu h GLU 495 Ca 0.20 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2weu h GLU 495 Cb 0.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2weu h GLU 495 CO -0.13 0.50 0.24 -0.07 -1.00 0.00 0.00 179.01 178.55 2weu h LEU 496 N 0.09 0.96 -0.43 1.33 3.38 -0.92 -1.51 115.31 118.21 2weu h LEU 496 Ca 0.05 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 2weu h LEU 496 Cb 0.34 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2weu h LEU 496 CO 0.01 0.87 -0.68 0.16 0.09 0.00 0.00 178.44 178.90 2weu h ILE 497 N 1.01 1.35 -0.13 1.22 3.07 -1.43 -0.30 117.51 122.31 2weu h ILE 497 Ca 0.23 -2.02 -0.08 0.00 1.55 0.00 0.00 64.86 64.54 2weu h ILE 497 Cb 0.24 2.00 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 2weu h ILE 497 CO -0.01 0.61 -0.29 0.00 -1.05 0.00 0.00 178.15 177.40 2weu h ALA 498 N 0.93 1.27 0.13 0.16 0.00 -1.25 -3.31 119.26 117.19 2weu h ALA 498 Ca -0.02 -0.33 -0.29 0.00 0.00 0.00 0.00 54.91 54.27 2weu h ALA 498 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2weu h ALA 498 CO 0.12 0.49 -1.45 0.00 0.00 0.00 0.00 179.25 178.41 2weu h ALA 499 N 1.49 0.16 -2.27 0.00 0.00 -1.00 -3.48 119.26 114.17 2weu h ALA 499 Ca 0.03 -1.08 -0.47 0.00 0.00 0.00 0.00 54.91 53.39 2weu h ALA 499 Cb 0.63 0.46 0.02 0.00 0.00 0.00 0.00 17.79 18.91 2weu h ALA 499 CO 0.05 0.85 0.37 -0.51 0.00 0.00 0.00 179.25 180.01 2weu s LEU 500 N -7.51 3.78 0.90 0.00 1.43 -0.15 -4.98 118.68 112.15 2weu s LEU 500 Ca -0.19 1.83 -0.13 0.00 -1.03 0.00 0.00 54.13 54.61 2weu s LEU 500 Cb 0.04 -4.55 0.13 0.00 0.03 0.00 0.00 46.19 41.85 2weu s LEU 500 CO 0.79 -0.75 1.19 -2.16 0.23 0.00 0.00 176.35 175.65 2weu s PRO 501 N -3.45 1.24 0.77 1.29 0.04 -1.26 -4.90 135.00 128.73 2weu s PRO 501 Ca 0.65 0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 2weu s PRO 501 Cb -0.14 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2weu s PRO 501 CO 0.23 -2.08 1.08 -1.54 0.04 0.00 0.00 177.00 174.72 2weu s SER 502 N -4.39 4.71 0.15 6.66 1.04 -1.26 -1.35 113.70 119.25 2weu s SER 502 Ca 0.65 1.48 -0.17 0.00 0.48 0.00 0.00 55.95 58.39 2weu s SER 502 Cb -0.11 -2.26 0.05 0.00 0.10 0.00 0.00 66.02 63.81 2weu s SER 502 CO 0.52 -1.86 1.71 0.00 0.98 0.00 0.00 173.24 174.59 2weu h TYR 504 N 0.09 0.66 -0.41 0.00 3.20 -1.84 -2.42 116.97 116.25 2weu h TYR 504 Ca 0.15 -0.09 0.08 0.00 3.14 0.00 0.00 58.73 62.01 2weu h TYR 504 Cb 0.21 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.21 2weu h TYR 504 CO -0.23 0.67 -0.15 0.93 -1.64 0.00 0.00 178.16 177.73 2weu h GLU 505 N 0.46 -0.07 0.07 1.82 5.08 -1.87 0.12 114.58 120.19 2weu h GLU 505 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2weu h GLU 505 Cb 0.37 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2weu h GLU 505 CO 0.01 -0.05 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.02 2weu h TYR 506 N -0.07 -0.09 -0.70 4.33 3.20 -1.31 -2.59 116.97 119.72 2weu h TYR 506 Ca 0.20 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.14 2weu h TYR 506 Cb 0.38 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 2weu h TYR 506 CO -0.40 0.23 0.38 -0.07 -1.64 0.00 0.00 178.16 176.66 2weu h LEU 507 N -0.42 0.55 -1.78 2.82 3.38 -1.25 0.55 115.31 119.15 2weu h LEU 507 Ca -0.01 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.08 2weu h LEU 507 Cb 0.36 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2weu h LEU 507 CO 0.02 0.34 0.30 0.00 0.09 0.00 0.00 178.44 179.19 2weu h ALA 508 N 1.38 2.08 0.00 1.53 0.00 -0.69 -2.05 119.26 121.51 2weu h ALA 508 Ca 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2weu h ALA 508 Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2weu h ALA 508 CO -0.21 -0.18 -0.09 0.66 0.00 0.00 0.00 179.25 179.43 2weu h SER 509 N 0.26 0.00 -0.41 0.00 4.64 -0.48 -3.09 113.55 114.47 2weu h SER 509 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2weu h SER 509 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2weu h SER 509 CO -0.04 0.09 0.00 2.30 -0.87 0.00 0.00 176.83 178.31 2weu n ILE 510 N -3.23 0.79 0.56 0.95 -5.35 -0.78 -5.12 119.36 107.18 2weu n ILE 510 Ca 0.00 -0.90 0.05 0.00 -0.27 0.00 0.00 62.75 61.63 2weu n ILE 510 Cb 0.34 0.67 0.27 0.00 -1.74 0.00 0.00 39.64 39.19 2weu n ILE 510 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79